4-(4-bromophenyl)-7-(4-methoxyphenyl)sulfanyl-2-methylsulfanyl-3H-1,5-benzodiazepine

Systemtic Name: 4-(4-bromophenyl)-7-(4-methoxyphenyl)sulfanyl-2-methylsulfanyl-3H-1,5-benzodiazepine Openeye Name: 4-(4-bromophenyl)-7-(4-methoxyphenyl)sulfanyl-2-methylsulfanyl-3H-1,5-benzodiazepine CAS Name: 4-(4-bromophenyl)-7-[(4-methoxyphenyl)thio]-2-(methylthio)-3H-1,5-benzodiazepine IUPAC Name: 4-(4-bromophenyl)-7-(4-methoxyphenyl)sulfanyl-2-methylsulfanyl-3H-1,5-benzodiazepine Traditional Name: 4-(4-bromophenyl)-7-[(4-methoxyphenyl)thio]-2-(methylthio)-3H-1,5-benzodiazepine Formula: C23H19BrN2OS2 MolecularWeight: 483.44376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(CC(=N3)C4=CC=C(C=C4)Br)SC

Isomeric SMILES

COC1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(CC(=N3)C4=CC=C(C=C4)Br)SC

InChI

InChI=1S/C23H19BrN2OS2/c1-27-17-7-9-18(10-8-17)29-19-11-12-20-22(13-19)25-21(14-23(26-20)28-2)15-3-5-16(24)6-4-15/h3-13H,14H2,1-2H3