6-[(3-nitrophenyl)methylsulfanyl]-11H-pyrido[2,3-b][1,4]benzodiazepine

Systemtic Name: 6-[(3-nitrophenyl)methylsulfanyl]-11H-pyrido[2,3-b][1,4]benzodiazepine Openeye Name: 6-[(3-nitrophenyl)methylsulfanyl]-11H-pyrido[2,3-b][1,4]benzodiazepine CAS Name: 6-[(3-nitrophenyl)methylthio]-11H-pyrido[2,3-b][1,4]benzodiazepine IUPAC Name: 6-[(3-nitrophenyl)methylsulfanyl]-11H-pyrido[2,3-b][1,4]benzodiazepine Traditional Name: 6-[(3-nitrobenzyl)thio]-11H-pyrido[2,3-b][1,4]benzodiazepine Formula: C19H14N4O2S MolecularWeight: 362.40506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC3=C(N2)N=CC=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC3=C(N2)N=CC=C3)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O2S/c24-23(25)14-6-3-5-13(11-14)12-26-19-15-7-1-2-8-16(15)21-18-17(22-19)9-4-10-20-18/h1-11H,12H2,(H,20,21)