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

Systemtic Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetate Formula: C12H12N3O3S- MolecularWeight: 278.30698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])COC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])COC2=CC=CC=C2

InChI

InChI=1S/C12H13N3O3S/c1-15-10(7-18-9-5-3-2-4-6-9)13-14-12(15)19-8-11(16)17/h2-6H,7-8H2,1H3,(H,16,17)/p-1