2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[4-methyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-methyl-5-(6-quinolinyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[[4-methyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H12N4O2S MolecularWeight: 300.33568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)O)C2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)O)C2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C14H12N4O2S/c1-18-13(16-17-14(18)21-8-12(19)20)10-4-5-11-9(7-10)3-2-6-15-11/h2-7H,8H2,1H3,(H,19,20)