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

Systemtic Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O2S/c1-11(15(21)22)23-16-19-18-14(12-6-5-9-17-10-12)20(16)13-7-3-2-4-8-13/h2-11H,1H3,(H,21,22)