N-(3-chloranyl-4-cyano-phenyl)-2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetamide Formula: C16H11ClN4O2S2 MolecularWeight: 390.86714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)C#N)Cl)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC(=C(C=C3)C#N)Cl)SC=C2

InChI

InChI=1S/C16H11ClN4O2S2/c1-21-15(23)11-4-5-24-14(11)20-16(21)25-8-13(22)19-10-3-2-9(7-18)12(17)6-10/h2-6H,8H2,1H3,(H,19,22)