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

Systemtic Name: 5-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-1,3,4-benzotriazepine Openeye Name: 5-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-1,3,4-benzotriazepine CAS Name: 5-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-2-(methylthio)-1,3,4-benzotriazepine IUPAC Name: 5-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-1,3,4-benzotriazepine Traditional Name: 5-(4-chlorophenyl)-2-(methylthio)-3-p-anisyl-1,3,4-benzotriazepine Formula: C23H20ClN3OS MolecularWeight: 421.9424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20ClN3OS/c1-28-19-13-7-16(8-14-19)15-27-23(29-2)25-21-6-4-3-5-20(21)22(26-27)17-9-11-18(24)12-10-17/h3-14H,15H2,1-2H3