8-chloranyl-4-methylsulfanyl-1-(4-nitrophenyl)-5H-2,3-benzodiazepine

Systemtic Name: 8-chloranyl-4-methylsulfanyl-1-(4-nitrophenyl)-5H-2,3-benzodiazepine Openeye Name: 8-chloro-4-methylsulfanyl-1-(4-nitrophenyl)-5H-2,3-benzodiazepine CAS Name: 8-chloro-4-(methylthio)-1-(4-nitrophenyl)-5H-2,3-benzodiazepine IUPAC Name: 8-chloro-4-methylsulfanyl-1-(4-nitrophenyl)-5H-2,3-benzodiazepine Traditional Name: 8-chloro-4-(methylthio)-1-(4-nitrophenyl)-5H-2,3-benzodiazepine Formula: C16H12ClN3O2S MolecularWeight: 345.80338

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(C2=C(C1)C=CC(=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=NN=C(C2=C(C1)C=CC(=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClN3O2S/c1-23-15-8-11-2-5-12(17)9-14(11)16(19-18-15)10-3-6-13(7-4-10)20(21)22/h2-7,9H,8H2,1H3