2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C14H11N4O2S- MolecularWeight: 299.32774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C#N)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC(=C2)C#N)[O-]

InChI

InChI=1S/C14H12N4O2S/c1-9-5-12(19)18-14(16-9)21-8-13(20)17-11-4-2-3-10(6-11)7-15/h2-6H,8H2,1H3,(H,17,20)(H,16,18,19)/p-1