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

Systemtic Name: 1-(4-nitrophenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone Openeye Name: 1-(4-nitrophenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone CAS Name: 1-(4-nitrophenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)ethanone IUPAC Name: 1-(4-nitrophenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanone Traditional Name: 1-(4-nitrophenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)ethanone Formula: C20H14N4O3S MolecularWeight: 390.41516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC3=C(N2)N=CC=C3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC3=C(N2)N=CC=C3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O3S/c25-18(13-7-9-14(10-8-13)24(26)27)12-28-20-15-4-1-2-5-16(15)22-19-17(23-20)6-3-11-21-19/h1-11H,12H2,(H,21,22)