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

Systemtic Name: N-(2-nitrophenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanamide Openeye Name: N-(2-nitrophenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide CAS Name: N-(2-nitrophenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)acetamide IUPAC Name: N-(2-nitrophenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide Traditional Name: N-(2-nitrophenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)acetamide Formula: C20H15N5O3S MolecularWeight: 405.4298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC3=C(N2)N=CC=C3)SCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC3=C(N2)N=CC=C3)SCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O3S/c26-18(22-15-8-3-4-10-17(15)25(27)28)12-29-20-13-6-1-2-7-14(13)23-19-16(24-20)9-5-11-21-19/h1-11H,12H2,(H,21,23)(H,22,26)