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

Systemtic Name: 3-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]propionate Formula: C18H16N3O3S- MolecularWeight: 354.40294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)[O-]

InChI

InChI=1S/C18H17N3O3S/c1-24-15-9-7-13(8-10-15)17-19-20-18(25-12-11-16(22)23)21(17)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,22,23)/p-1