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

Systemtic Name: 5-(4-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-1,3-benzodiazepine Openeye Name: 2-methylsulfanyl-5-(p-tolyl)-4,5-dihydro-1H-1,3-benzodiazepine CAS Name: 5-(4-methylphenyl)-2-(methylthio)-4,5-dihydro-1H-1,3-benzodiazepine IUPAC Name: 5-(4-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-1,3-benzodiazepine Traditional Name: 2-(methylthio)-5-(p-tolyl)-4,5-dihydro-1H-1,3-benzodiazepine Formula: C17H18N2S MolecularWeight: 282.40322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CN=C(NC3=CC=CC=C23)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2CN=C(NC3=CC=CC=C23)SC

InChI

InChI=1S/C17H18N2S/c1-12-7-9-13(10-8-12)15-11-18-17(20-2)19-16-6-4-3-5-14(15)16/h3-10,15H,11H2,1-2H3,(H,18,19)