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

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-6-(4-methylphenyl)pyrimidin-4-olate Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-cyano-6-(p-tolyl)pyrimidin-4-olate CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-5-cyano-6-(4-methylphenyl)-4-pyrimidinolate IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5-cyano-6-(4-methylphenyl)pyrimidin-4-olate Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-5-cyano-6-(p-tolyl)pyrimidin-4-olate Formula: C20H13ClN3O2S- MolecularWeight: 394.85412

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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)Cl)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O2S/c1-12-2-4-14(5-3-12)18-16(10-22)19(26)24-20(23-18)27-11-17(25)13-6-8-15(21)9-7-13/h2-9H,11H2,1H3,(H,23,24,26)/p-1