8-bromanyl-1-methyl-5-[(E)-2-[5-nitro-2-(phenylmethylsulfanyl)phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine

Systemtic Name: 8-bromanyl-1-methyl-5-[(E)-2-[5-nitro-2-(phenylmethylsulfanyl)phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine Openeye Name: 5-[(E)-2-(2-benzylsulfanyl-5-nitro-phenyl)vinyl]-8-bromo-1-methyl-2,3-dihydro-1,4-benzodiazepine CAS Name: 8-bromo-1-methyl-5-[(E)-2-[5-nitro-2-(phenylmethylthio)phenyl]ethenyl]-2,3-dihydro-1,4-benzodiazepine IUPAC Name: 5-[(E)-2-(2-benzylsulfanyl-5-nitrophenyl)ethenyl]-8-bromo-1-methyl-2,3-dihydro-1,4-benzodiazepine Traditional Name: 5-[(E)-2-[2-(benzylthio)-5-nitro-phenyl]vinyl]-8-bromo-1-methyl-2,3-dihydro-1,4-benzodiazepine Formula: C25H22BrN3O2S MolecularWeight: 508.43008

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=C1C=C(C=C2)Br)C=CC3=C(C=CC(=C3)[N+](=O)[O-])SCC4=CC=CC=C4

Isomeric SMILES

CN1CCN=C(C2=C1C=C(C=C2)Br)/C=C/C3=C(C=CC(=C3)[N+](=O)[O-])SCC4=CC=CC=C4

InChI

InChI=1S/C25H22BrN3O2S/c1-28-14-13-27-23(22-10-8-20(26)16-24(22)28)11-7-19-15-21(29(30)31)9-12-25(19)32-17-18-5-3-2-4-6-18/h2-12,15-16H,13-14,17H2,1H3/b11-7+