4-(3-cyanophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid

Systemtic Name: 4-(3-cyanophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid Openeye Name: 4-(3-cyanophenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid CAS Name: 4-(3-cyanophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid IUPAC Name: 4-(3-cyanophenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid Traditional Name: 4-(3-cyanophenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)O)C2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)O)C2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C14H11N3O4S/c1-7-10(12(18)19)11(17(14(20)21)13(22)16-7)9-4-2-3-8(5-9)6-15/h2-5,11H,1H3,(H,16,22)(H,18,19)(H,20,21)