3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: 3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: 3-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 3-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionate Formula: C11H11N4O2S- MolecularWeight: 263.29564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)[O-])C2=CN=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)[O-])C2=CN=CC=C2

InChI

InChI=1S/C11H12N4O2S/c1-15-10(8-3-2-5-12-7-8)13-14-11(15)18-6-4-9(16)17/h2-3,5,7H,4,6H2,1H3,(H,16,17)/p-1