2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)quinoline-4-carboxylic acid Openeye Name: 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)quinoline-4-carboxylic acid CAS Name: 2-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)quinoline-4-carboxylic acid Traditional Name: 2-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]cinchoninic acid Formula: C14H12N4O2S MolecularWeight: 300.33568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CN1C(=NN=C1SC)C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C14H12N4O2S/c1-18-12(16-17-14(18)21-2)11-7-9(13(19)20)8-5-3-4-6-10(8)15-11/h3-7H,1-2H3,(H,19,20)