6-[2-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 6-[2-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 6-[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolyl]sulfanyl]pyridine-3-carboxylic acid CAS Name: 6-[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-4-quinolinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)quinolin-4-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 6-[[2-(3-keto-5-methyl-3-pyrazolin-4-yl)-4-quinolyl]thio]nicotinic acid Formula: C19H14N4O3S MolecularWeight: 378.40446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=NC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=C(C(=O)NN1)C2=NC3=CC=CC=C3C(=C2)SC4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C19H14N4O3S/c1-10-17(18(24)23-22-10)14-8-15(12-4-2-3-5-13(12)21-14)27-16-7-6-11(9-20-16)19(25)26/h2-9H,1H3,(H,25,26)(H2,22,23,24)