3-(4-methylphenyl)-3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanoic acid

Systemtic Name: 3-(4-methylphenyl)-3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanoic acid Openeye Name: 3-(p-tolyl)-3-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoic acid CAS Name: 3-(4-methylphenyl)-3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanoic acid IUPAC Name: 3-(4-methylphenyl)-3-(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)propanoic acid Traditional Name: 3-(p-tolyl)-3-[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionic acid Formula: C17H16N4O2S MolecularWeight: 340.39954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)N2C(=NNC2=S)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)N2C(=NNC2=S)C3=CC=NC=C3

InChI

InChI=1S/C17H16N4O2S/c1-11-2-4-12(5-3-11)14(10-15(22)23)21-16(19-20-17(21)24)13-6-8-18-9-7-13/h2-9,14H,10H2,1H3,(H,20,24)(H,22,23)