2-[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-6-(4-methylphenyl)pyrimidin-4-olate

Systemtic Name: 2-[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-6-(4-methylphenyl)pyrimidin-4-olate Openeye Name: 2-[2-(4-acetamidophenyl)-2-oxo-ethyl]sulfanyl-5-cyano-6-(p-tolyl)pyrimidin-4-olate CAS Name: 2-[[2-(4-acetamidophenyl)-2-oxoethyl]thio]-5-cyano-6-(4-methylphenyl)-4-pyrimidinolate IUPAC Name: 2-[2-(4-acetamidophenyl)-2-oxoethyl]sulfanyl-5-cyano-6-(4-methylphenyl)pyrimidin-4-olate Traditional Name: 2-[[2-(4-acetamidophenyl)-2-keto-ethyl]thio]-5-cyano-6-(p-tolyl)pyrimidin-4-olate Formula: C22H17N4O3S- MolecularWeight: 417.46038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=N2)SCC(=O)C3=CC=C(C=C3)NC(=O)C)[O-])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)/p-1