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

Systemtic Name: N-(4-nitrophenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)ethanamide Openeye Name: N-(4-nitrophenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide CAS Name: N-(4-nitrophenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylthio)acetamide IUPAC Name: N-(4-nitrophenyl)-2-(11H-pyrido[2,3-b][1,4]benzodiazepin-6-ylsulfanyl)acetamide Traditional Name: N-(4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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