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

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C13H15N3O2S MolecularWeight: 277.3421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2S/c1-2-16-11(8-10-6-4-3-5-7-10)14-15-13(16)19-9-12(17)18/h3-7H,2,8-9H2,1H3,(H,17,18)