
 362519-49-1

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    6.3014   -4.4769    2.1510 C   0  0  0  0  0
    6.1772   -3.6859    3.2926 C   0  0  0  0  0
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    7.0478   -6.0231    2.2659 Cl  0  0  0  0  0
    7.2507    1.0530    0.3490 N   0  0  0  0  0
    8.1205    1.3483   -0.7846 C   0  0  0  0  0
    9.3489    1.9824   -0.1410 C   0  0  0  0  0
    9.1459    1.4885    1.2751 C   0  0  0  0  0
    7.9528    1.0283    1.5391 N   0  0  0  0  0
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M  END

>  <Chemical Name>
362519-49-1

>  <PubChem CID>
11179267

>  <Formula>
C23H20Cl2N4O2S

>  <Molecular Weight>
487.399000

>  <IUPAC Name>
5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

>  <Isomeric SMILES>
CN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)N2CC(C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H20Cl2N4O2S/c1-26-23(28-32(30,31)20-13-11-19(25)12-14-20)29-15-21(16-5-3-2-4-6-16)22(27-29)17-7-9-18(24)10-8-17/h2-14,21H,15H2,1H3,(H,26,28)

>  <InChI Key>
AXJQVVLKUYCICH-UHFFFAOYSA-N

