1-(3-bromophenyl)-3a,5-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine

Systemtic Name: 1-(3-bromophenyl)-3a,5-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine Openeye Name: 1-(3-bromophenyl)-3a,5-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine CAS Name: 1-(3-bromophenyl)-3a,5-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine IUPAC Name: 1-(3-bromophenyl)-3a,5-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine Traditional Name: 1-(3-bromophenyl)-3a,5-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine Formula: C28H21BrN2OS MolecularWeight: 513.44814

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N3C1(ON=C3C4=CC(=CC=C4)Br)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C(SC2=CC=CC=C2N3C1(ON=C3C4=CC(=CC=C4)Br)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H21BrN2OS/c29-23-15-9-12-21(18-23)27-30-32-28(22-13-5-2-6-14-22)19-26(20-10-3-1-4-11-20)33-25-17-8-7-16-24(25)31(27)28/h1-18,26H,19H2