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

Systemtic Name: 2-[[5-methyl-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-methyl-4-(3-pyridylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-methyl-4-(3-pyridinylmethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-methyl-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-methyl-4-(3-pyridylmethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C11H11N4O2S- MolecularWeight: 263.29564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CN=CC=C2)SCC(=O)[O-]

Isomeric SMILES

CC1=NN=C(N1CC2=CN=CC=C2)SCC(=O)[O-]

InChI

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