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

Systemtic Name: 1-phenyl-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone Openeye Name: 1-phenyl-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone CAS Name: 1-phenyl-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)ethanone IUPAC Name: 1-phenyl-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone Traditional Name: 1-phenyl-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)ethanone Formula: C20H15N3OS MolecularWeight: 345.4176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3OS/c24-18(14-7-2-1-3-8-14)13-25-20-15-9-4-5-10-16(15)22-19-17(23-20)11-6-12-21-19/h1-12H,13H2,(H,21,22)