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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(4-methylpyrimidin-2-yl)thio]acetamide Formula: C16H16N4OS2 MolecularWeight: 344.45444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CC1=NC(=NC=C1)SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C16H16N4OS2/c1-10-6-7-18-16(19-10)22-9-14(21)20-15-12(8-17)11-4-2-3-5-13(11)23-15/h6-7H,2-5,9H2,1H3,(H,20,21)