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

Systemtic Name: 3a-(4-methoxyphenyl)-1-(4-methylphenyl)-5-methylsulfanyl-4H-[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine Openeye Name: 3a-(4-methoxyphenyl)-5-methylsulfanyl-1-(p-tolyl)-4H-[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine CAS Name: 3a-(4-methoxyphenyl)-1-(4-methylphenyl)-5-(methylthio)-4H-[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine IUPAC Name: 3a-(4-methoxyphenyl)-1-(4-methylphenyl)-5-methylsulfanyl-4H-[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine Traditional Name: 3a-(4-methoxyphenyl)-5-(methylthio)-1-(p-tolyl)-4H-[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine Formula: C25H23N3O2S MolecularWeight: 429.53402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC3(N2C4=CC=CC=C4N=C(C3)SC)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC3(N2C4=CC=CC=C4N=C(C3)SC)C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H23N3O2S/c1-17-8-10-18(11-9-17)24-27-30-25(19-12-14-20(29-2)15-13-19)16-23(31-3)26-21-6-4-5-7-22(21)28(24)25/h4-15H,16H2,1-3H3