N-[4-[2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]phenyl]ethanamide

Systemtic Name: N-[4-[2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]phenyl]ethanamide Openeye Name: N-[4-[2-[[5-cyano-4-oxo-6-(p-tolyl)-1H-pyrimidin-2-yl]sulfanyl]acetyl]phenyl]acetamide CAS Name: N-[4-[2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]phenyl]acetamide IUPAC Name: N-[4-[2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]phenyl]acetamide Traditional Name: N-[4-[2-[[5-cyano-4-keto-6-(p-tolyl)-1H-pyrimidin-2-yl]thio]acetyl]phenyl]acetamide Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)C3=CC=C(C=C3)NC(=O)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)C3=CC=C(C=C3)NC(=O)C)C#N

InChI

InChI=1S/C22H18N4O3S/c1-13-3-5-16(6-4-13)20-18(11-23)21(29)26-22(25-20)30-12-19(28)15-7-9-17(10-8-15)24-14(2)27/h3-10H,12H2,1-2H3,(H,24,27)(H,25,26,29)