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

Systemtic Name: 7-chloranyl-5-(2-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-4H-1,3,4-benzotriazepine-2-thione Openeye Name: 7-chloro-5-(2-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-4H-1,3,4-benzotriazepine-2-thione CAS Name: 7-chloro-5-(2-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-4H-1,3,4-benzotriazepine-2-thione IUPAC Name: 7-chloro-5-(2-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-4H-1,3,4-benzotriazepine-2-thione Traditional Name: 7-chloro-5-(2-chlorophenyl)-3-p-anisyl-4H-1,3,4-benzotriazepine-2-thione Formula: C22H17Cl2N3OS MolecularWeight: 442.36088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=S)N=C3C=CC(=CC3=C(N2)C4=CC=CC=C4Cl)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=S)N=C3C=CC(=CC3=C(N2)C4=CC=CC=C4Cl)Cl

InChI

InChI=1S/C22H17Cl2N3OS/c1-28-16-9-6-14(7-10-16)13-27-22(29)25-20-11-8-15(23)12-18(20)21(26-27)17-4-2-3-5-19(17)24/h2-12,26H,13H2,1H3