N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,5-diphenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,5-diphenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,5-diphenyl-triazole-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,5-diphenyl-4-triazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,5-diphenyltriazole-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1,5-diphenyl-triazole-4-carboxamide Formula: C24H19N5OS MolecularWeight: 425.50556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(N(N=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(N(N=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C24H19N5OS/c25-15-19-18-13-7-8-14-20(18)31-24(19)26-23(30)21-22(16-9-3-1-4-10-16)29(28-27-21)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-14H2,(H,26,30)