
 MLS000122330

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M  END

>  <Chemical Name>
MLS000122330

>  <PubChem CID>
3193699

>  <Formula>
C23H25ClN6S

>  <Molecular Weight>
453.005000

>  <IUPAC Name>
1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)(C)N1C(=NN=N1)C(C2=CC=CS2)N(CC3=CN=CC=C3)CC4=CC=CC=C4Cl

>  <Isomeric SMILES>
CC(C)(C)N1C(=NN=N1)C(C2=CC=CS2)N(CC3=CN=CC=C3)CC4=CC=CC=C4Cl

>  <InChI Std. ID>
InChI=1S/C23H25ClN6S/c1-23(2,3)30-22(26-27-28-30)21(20-11-7-13-31-20)29(15-17-8-6-12-25-14-17)16-18-9-4-5-10-19(18)24/h4-14,21H,15-16H2,1-3H3

>  <InChI Key>
BHRDJGZWRNNORC-UHFFFAOYSA-N

