2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[4-(4-methoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CN=CC=C3

Isomeric SMILES

CC(C(=O)O)SC1=NN=C(N1C2=CC=C(C=C2)OC)C3=CN=CC=C3

InChI

InChI=1S/C17H16N4O3S/c1-11(16(22)23)25-17-20-19-15(12-4-3-9-18-10-12)21(17)13-5-7-14(24-2)8-6-13/h3-11H,1-2H3,(H,22,23)