1-methyl-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)pyrazole-3-carboxylic acid

Systemtic Name: 1-methyl-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)pyrazole-3-carboxylic acid Openeye Name: 1-methyl-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)pyrazole-3-carboxylic acid CAS Name: 1-methyl-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-3-pyrazolecarboxylic acid IUPAC Name: 1-methyl-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)pyrazole-3-carboxylic acid Traditional Name: 4-(4-keto-2-thioxo-1H-quinazolin-3-yl)-1-methyl-pyrazole-3-carboxylic acid Formula: C13H10N4O3S MolecularWeight: 302.3085

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)O)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CN1C=C(C(=N1)C(=O)O)N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C13H10N4O3S/c1-16-6-9(10(15-16)12(19)20)17-11(18)7-4-2-3-5-8(7)14-13(17)21/h2-6H,1H3,(H,14,21)(H,19,20)