N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4,6-diphenylpyrimidin-2-yl)thio]acetamide Formula: C27H22N4OS2 MolecularWeight: 482.61978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C27H22N4OS2/c28-16-21-20-13-7-8-14-24(20)34-26(21)31-25(32)17-33-27-29-22(18-9-3-1-4-10-18)15-23(30-27)19-11-5-2-6-12-19/h1-6,9-12,15H,7-8,13-14,17H2,(H,31,32)