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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-methyl-6-(p-tolyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[4-methyl-6-(4-methylphenyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[4-methyl-6-(p-tolyl)pyrimidin-2-yl]thio]acetamide Formula: C23H22N4OS2 MolecularWeight: 434.57698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N)C

InChI

InChI=1S/C23H22N4OS2/c1-14-7-9-16(10-8-14)19-11-15(2)25-23(26-19)29-13-21(28)27-22-18(12-24)17-5-3-4-6-20(17)30-22/h7-11H,3-6,13H2,1-2H3,(H,27,28)