3-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: 3-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionate Formula: C13H14N3O3S- MolecularWeight: 292.33356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)[O-])C2=CC(=CC=C2)OC

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)[O-])C2=CC(=CC=C2)OC

InChI

InChI=1S/C13H15N3O3S/c1-16-12(9-4-3-5-10(8-9)19-2)14-15-13(16)20-7-6-11(17)18/h3-5,8H,6-7H2,1-2H3,(H,17,18)/p-1