5-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanyl-1,3,4-benzotriazepine

Systemtic Name: 5-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanyl-1,3,4-benzotriazepine Openeye Name: 5-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanyl-1,3,4-benzotriazepine CAS Name: 5-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-(methylthio)-1,3,4-benzotriazepine IUPAC Name: 5-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfanyl-1,3,4-benzotriazepine Traditional Name: 5-(4-chlorophenyl)-2-(methylthio)-3-veratryl-1,3,4-benzotriazepine Formula: C24H22ClN3O2S MolecularWeight: 451.96838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=NC3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=NC3=CC=CC=C3C(=N2)C4=CC=C(C=C4)Cl)SC)OC

InChI

InChI=1S/C24H22ClN3O2S/c1-29-21-13-8-16(14-22(21)30-2)15-28-24(31-3)26-20-7-5-4-6-19(20)23(27-28)17-9-11-18(25)12-10-17/h4-14H,15H2,1-3H3