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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCCC(=O)[O-]

InChI

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