7-chloranyl-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine

Systemtic Name: 7-chloranyl-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine Openeye Name: 7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine CAS Name: 7-chloro-3-[(4-methoxyphenyl)methyl]-2-(methylthio)-5-phenyl-1,3,4-benzotriazepine IUPAC Name: 7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine Traditional Name: 7-chloro-2-(methylthio)-3-p-anisyl-5-phenyl-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=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4)SC

InChI

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