4-(1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 4-(1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepin-5-yl)benzenecarbonitrile Openeye Name: 4-(1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepin-5-yl)benzonitrile CAS Name: 4-(1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepin-5-yl)benzonitrile IUPAC Name: 4-(1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepin-5-yl)benzonitrile Traditional Name: 4-(1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepin-5-yl)benzonitrile Formula: C29H21N3OS MolecularWeight: 459.56154

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C#N

Isomeric SMILES

C1C(SC2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C#N

InChI

InChI=1S/C29H21N3OS/c30-20-21-15-17-22(18-16-21)27-19-29(24-11-5-2-6-12-24)32(25-13-7-8-14-26(25)34-27)28(31-33-29)23-9-3-1-4-10-23/h1-18,27H,19H2