
 CHEMBL2178054

 40 41  0  0  0  0  0  0  0  0999 V2000
    4.3034   -0.5646    2.4302 C   0  0  0  0  0
    4.8490   -0.7292    1.0192 C   0  0  0  0  0
    5.6532    0.4839    0.5579 C   0  0  0  0  0
    4.7997    1.6287    0.5266 O   0  0  0  0  0
    5.3569    2.8057    0.1074 C   0  0  0  0  0
    4.4890    3.9013    0.1051 C   0  0  0  0  0
    4.9279    5.1640   -0.3035 C   0  0  0  0  0
    6.2483    5.3414   -0.7152 C   0  0  0  0  0
    7.1165    4.2479   -0.7165 C   0  0  0  0  0
    6.6784    2.9830   -0.3014 C   0  0  0  0  0
    8.5405    4.4198   -1.1078 C   0  0  0  0  0
    9.1446    3.7556   -2.0534 N   0  0  0  0  0
    8.2768    2.9146   -2.7561 O   0  0  0  0  0
    9.3507    5.3968   -0.2703 C   0  0  0  0  0
    9.8293    6.8390   -1.2757 S   0  0  0  0  0
   10.7890    7.7232   -0.0618 C   0  0  0  0  0
   10.1773    8.2733    1.0686 C   0  0  0  0  0
   10.9354    8.9726    2.0102 C   0  0  0  0  0
   12.3068    9.1311    1.8229 C   0  0  0  0  0
   12.9213    8.5939    0.6925 C   0  0  0  0  0
   12.1633    7.8935   -0.2510 C   0  0  0  0  0
    3.7678   -1.4697    2.7346 H   0  0  0  0  0
    3.6049    0.2756    2.4914 H   0  0  0  0  0
    5.1132   -0.3924    3.1459 H   0  0  0  0  0
    4.0058   -0.8912    0.3370 H   0  0  0  0  0
    5.4854   -1.6207    0.9796 H   0  0  0  0  0
    6.0413    0.2790   -0.4474 H   0  0  0  0  0
    6.4873    0.6530    1.2496 H   0  0  0  0  0
    3.4563    3.7673    0.4215 H   0  0  0  0  0
    4.2377    6.0026   -0.3050 H   0  0  0  0  0
    6.5823    6.3213   -1.0448 H   0  0  0  0  0
    7.3871    2.1627   -0.3165 H   0  0  0  0  0
    8.8432    2.5880   -3.4794 H   0  0  0  0  0
   10.2489    4.8806    0.0877 H   0  0  0  0  0
    8.7750    5.7226    0.6017 H   0  0  0  0  0
    9.1062    8.1735    1.2219 H   0  0  0  0  0
   10.4527    9.3994    2.8861 H   0  0  0  0  0
   12.8957    9.6789    2.5538 H   0  0  0  0  0
   13.9905    8.7229    0.5417 H   0  0  0  0  0
   12.6554    7.4841   -1.1289 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 10 32  1  0  0  0
 11 14  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 18 19  2  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2178054

>  <PubChem CID>
71453661

>  <Formula>
C17H19NO2S

>  <Molecular Weight>
301.404000

>  <IUPAC Name>
(NZ)-N-[2-phenylsulfanyl-1-(3-propoxyphenyl)ethylidene]hydroxylamine

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCOC1=CC=CC(=C1)C(=NO)CSC2=CC=CC=C2

>  <Isomeric SMILES>
CCCOC1=CC=CC(=C1)/C(=N/O)/CSC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C17H19NO2S/c1-2-11-20-15-8-6-7-14(12-15)17(18-19)13-21-16-9-4-3-5-10-16/h3-10,12,19H,2,11,13H2,1H3/b18-17+

>  <InChI Key>
HIZHVFSTDARODI-ISLYRVAYSA-N

