2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H11N3O3S MolecularWeight: 265.28834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2SCC(=O)O

InChI

InChI=1S/C11H11N3O3S/c1-17-9-4-2-3-8(5-9)14-7-12-13-11(14)18-6-10(15)16/h2-5,7H,6H2,1H3,(H,15,16)