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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=NC3=CC=CC=C32)SC)CC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=NC3=CC=CC=C32)SC)CC4=CC=C(C=C4)OC

InChI

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