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

Systemtic Name: 5-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-4H-1,3,4-benzotriazepine-2-thione Openeye Name: 5-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-4H-1,3,4-benzotriazepine-2-thione CAS Name: 5-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-4H-1,3,4-benzotriazepine-2-thione IUPAC Name: 5-(4-chlorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]-4H-1,3,4-benzotriazepine-2-thione Traditional Name: 5-(4-chlorophenyl)-3-veratryl-4H-1,3,4-benzotriazepine-2-thione Formula: C23H20ClN3O2S MolecularWeight: 437.9418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=S)N=C3C=CC=CC3=C(N2)C4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=S)N=C3C=CC=CC3=C(N2)C4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C23H20ClN3O2S/c1-28-20-12-7-15(13-21(20)29-2)14-27-23(30)25-19-6-4-3-5-18(19)22(26-27)16-8-10-17(24)11-9-16/h3-13,26H,14H2,1-2H3