3-[(4-methoxyphenyl)methyl]-8-methyl-5-phenyl-4H-1,3,4-benzotriazepine-2-thione

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-8-methyl-5-phenyl-4H-1,3,4-benzotriazepine-2-thione Openeye Name: 3-[(4-methoxyphenyl)methyl]-8-methyl-5-phenyl-4H-1,3,4-benzotriazepine-2-thione CAS Name: 3-[(4-methoxyphenyl)methyl]-8-methyl-5-phenyl-4H-1,3,4-benzotriazepine-2-thione IUPAC Name: 3-[(4-methoxyphenyl)methyl]-8-methyl-5-phenyl-4H-1,3,4-benzotriazepine-2-thione Traditional Name: 8-methyl-3-p-anisyl-5-phenyl-4H-1,3,4-benzotriazepine-2-thione Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=S)N(NC(=C2C=C1)C3=CC=CC=C3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=NC(=S)N(NC(=C2C=C1)C3=CC=CC=C3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H21N3OS/c1-16-8-13-20-21(14-16)24-23(28)26(15-17-9-11-19(27-2)12-10-17)25-22(20)18-6-4-3-5-7-18/h3-14,25H,15H2,1-2H3