2-[[5-ethyl-4-(2-methoxy-2-oxidanylidene-ethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-ethyl-4-(2-methoxy-2-oxidanylidene-ethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-(2-methoxy-2-oxo-ethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-(2-methoxy-2-oxoethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-(2-methoxy-2-oxoethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-ethyl-4-(2-keto-2-methoxy-ethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C9H13N3O4S MolecularWeight: 259.28222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC(=O)OC)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1CC(=O)OC)SCC(=O)O

InChI

InChI=1S/C9H13N3O4S/c1-3-6-10-11-9(17-5-7(13)14)12(6)4-8(15)16-2/h3-5H2,1-2H3,(H,13,14)