2-[[5-cyclopropyl-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-cyclopropyl-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-(3-pyridylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-(3-pyridinylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-(3-pyridylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H14N4O2S MolecularWeight: 290.34086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CN=CC=C3)SCC(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CN=CC=C3)SCC(=O)O

InChI

InChI=1S/C13H14N4O2S/c18-11(19)8-20-13-16-15-12(10-3-4-10)17(13)7-9-2-1-5-14-6-9/h1-2,5-6,10H,3-4,7-8H2,(H,18,19)