2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline-3-carboxylic acid

Systemtic Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline-3-carboxylic acid Openeye Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline-3-carboxylic acid CAS Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-3-quinolinecarboxylic acid IUPAC Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]quinoline-3-carboxylic acid Traditional Name: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]quinoline-3-carboxylic acid Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC2=NC3=CC=CC=C3C=C2C(=O)O

Isomeric SMILES

CC1=NC(=NN1)SC2=NC3=CC=CC=C3C=C2C(=O)O

InChI

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