7-bromanyl-8-methoxy-4-methylsulfanyl-1-(4-nitrophenyl)-5H-2,3-benzodiazepine

Systemtic Name: 7-bromanyl-8-methoxy-4-methylsulfanyl-1-(4-nitrophenyl)-5H-2,3-benzodiazepine Openeye Name: 7-bromo-8-methoxy-4-methylsulfanyl-1-(4-nitrophenyl)-5H-2,3-benzodiazepine CAS Name: 7-bromo-8-methoxy-4-(methylthio)-1-(4-nitrophenyl)-5H-2,3-benzodiazepine IUPAC Name: 7-bromo-8-methoxy-4-methylsulfanyl-1-(4-nitrophenyl)-5H-2,3-benzodiazepine Traditional Name: 7-bromo-8-methoxy-4-(methylthio)-1-(4-nitrophenyl)-5H-2,3-benzodiazepine Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(=NN=C(C2=C1)C3=CC=C(C=C3)[N+](=O)[O-])SC)Br

Isomeric SMILES

COC1=C(C=C2CC(=NN=C(C2=C1)C3=CC=C(C=C3)[N+](=O)[O-])SC)Br

InChI

InChI=1S/C17H14BrN3O3S/c1-24-15-9-13-11(7-14(15)18)8-16(25-2)19-20-17(13)10-3-5-12(6-4-10)21(22)23/h3-7,9H,8H2,1-2H3