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

Systemtic Name: 5-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-4H-1,3,4-benzotriazepine-2-thione Openeye Name: 5-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-4H-1,3,4-benzotriazepine-2-thione CAS Name: 5-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-4H-1,3,4-benzotriazepine-2-thione IUPAC Name: 5-(4-chlorophenyl)-3-[(4-methoxyphenyl)methyl]-4H-1,3,4-benzotriazepine-2-thione Traditional Name: 5-(4-chlorophenyl)-3-p-anisyl-4H-1,3,4-benzotriazepine-2-thione Formula: C22H18ClN3OS MolecularWeight: 407.91582

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3OS/c1-27-18-12-6-15(7-13-18)14-26-22(28)24-20-5-3-2-4-19(20)21(25-26)16-8-10-17(23)11-9-16/h2-13,25H,14H2,1H3