2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoline-4-carboxylic acid Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoline-4-carboxylic acid CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-4-quinolinecarboxylic acid IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]quinoline-4-carboxylic acid Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]cinchoninic acid Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CN1C=NN=C1SC2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C13H10N4O2S/c1-17-7-14-16-13(17)20-11-6-9(12(18)19)8-4-2-3-5-10(8)15-11/h2-7H,1H3,(H,18,19)