N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[1-(m-tolyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[1-(m-tolyl)imidazol-2-yl]thio]acetamide Formula: C22H22N4OS2 MolecularWeight: 422.56628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=CN3C4=CC=CC(=C4)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=CN3C4=CC=CC(=C4)C

InChI

InChI=1S/C22H22N4OS2/c1-14-4-3-5-16(10-14)26-9-8-24-22(26)28-13-20(27)25-21-18(12-23)17-7-6-15(2)11-19(17)29-21/h3-5,8-10,15H,6-7,11,13H2,1-2H3,(H,25,27)