2-[[6-(4-chlorophenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide CAS Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]acetamide Formula: C13H9ClN4O2S MolecularWeight: 320.75416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)SCC(=O)N)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)N=C(N2)SCC(=O)N)C#N)Cl

InChI

InChI=1S/C13H9ClN4O2S/c14-8-3-1-7(2-4-8)11-9(5-15)12(20)18-13(17-11)21-6-10(16)19/h1-4H,6H2,(H2,16,19)(H,17,18,20)