2-(4-methylphenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine

Systemtic Name: 2-(4-methylphenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine Openeye Name: 4-methylsulfanyl-2-(p-tolyl)-3H-1,5-benzodiazepine CAS Name: 2-(4-methylphenyl)-4-(methylthio)-3H-1,5-benzodiazepine IUPAC Name: 2-(4-methylphenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine Traditional Name: 4-(methylthio)-2-(p-tolyl)-3H-1,5-benzodiazepine Formula: C17H16N2S MolecularWeight: 280.38734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C(C2)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C(C2)SC

InChI

InChI=1S/C17H16N2S/c1-12-7-9-13(10-8-12)16-11-17(20-2)19-15-6-4-3-5-14(15)18-16/h3-10H,11H2,1-2H3