N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3-cyano-6-(phenylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-[(4-methyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-[(4-methylpyrimidin-2-yl)thio]acetamide Formula: C22H21N5OS2 MolecularWeight: 435.56504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C22H21N5OS2/c1-15-7-9-24-22(25-15)29-14-20(28)26-21-18(11-23)17-8-10-27(13-19(17)30-21)12-16-5-3-2-4-6-16/h2-7,9H,8,10,12-14H2,1H3,(H,26,28)