5-(4-chlorophenyl)-3-(phenylmethyl)-4H-1,3,4-benzotriazepine-2-thione

Systemtic Name: 5-(4-chlorophenyl)-3-(phenylmethyl)-4H-1,3,4-benzotriazepine-2-thione Openeye Name: 3-benzyl-5-(4-chlorophenyl)-4H-1,3,4-benzotriazepine-2-thione CAS Name: 5-(4-chlorophenyl)-3-(phenylmethyl)-4H-1,3,4-benzotriazepine-2-thione IUPAC Name: 3-benzyl-5-(4-chlorophenyl)-4H-1,3,4-benzotriazepine-2-thione Traditional Name: 3-benzyl-5-(4-chlorophenyl)-4H-1,3,4-benzotriazepine-2-thione Formula: C21H16ClN3S MolecularWeight: 377.88984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3S/c22-17-12-10-16(11-13-17)20-18-8-4-5-9-19(18)23-21(26)25(24-20)14-15-6-2-1-3-7-15/h1-13,24H,14H2