1-(4-bromophenyl)-9-(3-methoxyphenoxy)-3a-(4-methylphenyl)-5-methylsulfanyl-4H-[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine

Systemtic Name: 1-(4-bromophenyl)-9-(3-methoxyphenoxy)-3a-(4-methylphenyl)-5-methylsulfanyl-4H-[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine Openeye Name: 1-(4-bromophenyl)-9-(3-methoxyphenoxy)-5-methylsulfanyl-3a-(p-tolyl)-4H-[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine CAS Name: 1-(4-bromophenyl)-9-(3-methoxyphenoxy)-3a-(4-methylphenyl)-5-(methylthio)-4H-[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine IUPAC Name: 1-(4-bromophenyl)-9-(3-methoxyphenoxy)-3a-(4-methylphenyl)-5-methylsulfanyl-4H-[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine Traditional Name: 1-(4-bromophenyl)-9-(3-methoxyphenoxy)-5-(methylthio)-3a-(p-tolyl)-4H-[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine Formula: C31H26BrN3O3S MolecularWeight: 600.52544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC(=NC4=C(N2C(=NO3)C5=CC=C(C=C5)Br)C=C(C=C4)OC6=CC(=CC=C6)OC)SC

Isomeric SMILES

CC1=CC=C(C=C1)C23CC(=NC4=C(N2C(=NO3)C5=CC=C(C=C5)Br)C=C(C=C4)OC6=CC(=CC=C6)OC)SC

InChI

InChI=1S/C31H26BrN3O3S/c1-20-7-11-22(12-8-20)31-19-29(39-3)33-27-16-15-26(37-25-6-4-5-24(17-25)36-2)18-28(27)35(31)30(34-38-31)21-9-13-23(32)14-10-21/h4-18H,19H2,1-3H3