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

Systemtic Name: N-[3-cyano-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3-cyano-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]-2-[(4-methyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)-2-[(4-methylpyrimidin-2-yl)thio]acetamide Formula: C22H22N5OS2+ MolecularWeight: 436.57298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)NC2=C(C3=C(S2)C[NH+](CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)NC2=C(C3=C(S2)C[NH+](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)/p+1