2-[4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[4-[[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]acetic acid IUPAC Name: 2-[4-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[4-[[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenyl]acetic acid Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C16H14N4O2S/c21-14(22)9-11-1-3-12(4-2-11)10-23-16-18-15(19-20-16)13-5-7-17-8-6-13/h1-8H,9-10H2,(H,21,22)(H,18,19,20)