5-(4-chlorophenyl)-2-methylsulfanyl-3-(pyridin-3-ylmethyl)-1,3,4-benzotriazepine

Systemtic Name: 5-(4-chlorophenyl)-2-methylsulfanyl-3-(pyridin-3-ylmethyl)-1,3,4-benzotriazepine Openeye Name: 5-(4-chlorophenyl)-2-methylsulfanyl-3-(3-pyridylmethyl)-1,3,4-benzotriazepine CAS Name: 5-(4-chlorophenyl)-2-(methylthio)-3-(3-pyridinylmethyl)-1,3,4-benzotriazepine IUPAC Name: 5-(4-chlorophenyl)-2-methylsulfanyl-3-(pyridin-3-ylmethyl)-1,3,4-benzotriazepine Traditional Name: 5-(4-chlorophenyl)-2-(methylthio)-3-(3-pyridylmethyl)-1,3,4-benzotriazepine Formula: C21H17ClN4S MolecularWeight: 392.90448

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2C(=NN1CC3=CN=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CSC1=NC2=CC=CC=C2C(=NN1CC3=CN=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4S/c1-27-21-24-19-7-3-2-6-18(19)20(16-8-10-17(22)11-9-16)25-26(21)14-15-5-4-12-23-13-15/h2-13H,14H2,1H3