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

Systemtic Name: 7-chloranyl-5-(4-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-1,3-benzodiazepine Openeye Name: 7-chloro-2-methylsulfanyl-5-(p-tolyl)-4,5-dihydro-1H-1,3-benzodiazepine CAS Name: 7-chloro-5-(4-methylphenyl)-2-(methylthio)-4,5-dihydro-1H-1,3-benzodiazepine IUPAC Name: 7-chloro-5-(4-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-1,3-benzodiazepine Traditional Name: 7-chloro-2-(methylthio)-5-(p-tolyl)-4,5-dihydro-1H-1,3-benzodiazepine Formula: C17H17ClN2S MolecularWeight: 316.84828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CN=C(NC3=C2C=C(C=C3)Cl)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2CN=C(NC3=C2C=C(C=C3)Cl)SC

InChI

InChI=1S/C17H17ClN2S/c1-11-3-5-12(6-4-11)15-10-19-17(21-2)20-16-8-7-13(18)9-14(15)16/h3-9,15H,10H2,1-2H3,(H,19,20)