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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-8-methyl-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine Openeye Name: 3-[(4-methoxyphenyl)methyl]-8-methyl-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine CAS Name: 3-[(4-methoxyphenyl)methyl]-8-methyl-2-(methylthio)-5-phenyl-1,3,4-benzotriazepine IUPAC Name: 3-[(4-methoxyphenyl)methyl]-8-methyl-2-methylsulfanyl-5-phenyl-1,3,4-benzotriazepine Traditional Name: 8-methyl-2-(methylthio)-3-p-anisyl-5-phenyl-1,3,4-benzotriazepine Formula: C24H23N3OS MolecularWeight: 401.52392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NN(C(=N2)SC)CC3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NN(C(=N2)SC)CC3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3OS/c1-17-9-14-21-22(15-17)25-24(29-3)27(16-18-10-12-20(28-2)13-11-18)26-23(21)19-7-5-4-6-8-19/h4-15H,16H2,1-3H3