1-(4-methylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone

Systemtic Name: 1-(4-methylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone Openeye Name: 1-(p-tolyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone CAS Name: 1-(4-methylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)ethanone IUPAC Name: 1-(4-methylphenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone Traditional Name: 1-(p-tolyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)ethanone Formula: C21H17N3OS MolecularWeight: 359.44418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC3=C(NC4=CC=CC=C42)N=CC=C3

InChI

InChI=1S/C21H17N3OS/c1-14-8-10-15(11-9-14)19(25)13-26-21-16-5-2-3-6-17(16)23-20-18(24-21)7-4-12-22-20/h2-12H,13H2,1H3,(H,22,23)