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

Systemtic Name: 3-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C17H16N4O2S/c22-15(23)8-10-24-17-20-19-16(14-7-4-9-18-11-14)21(17)12-13-5-2-1-3-6-13/h1-7,9,11H,8,10,12H2,(H,22,23)