2-[[4-(1-pyridin-3-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(1-pyridin-3-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-[1-(3-pyridyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-[1-(3-pyridinyl)ethyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(1-pyridin-3-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-[1-(3-pyridyl)ethyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)N2C=NN=C2SCC(=O)O

Isomeric SMILES

CC(C1=CN=CC=C1)N2C=NN=C2SCC(=O)O

InChI

InChI=1S/C11H12N4O2S/c1-8(9-3-2-4-12-5-9)15-7-13-14-11(15)18-6-10(16)17/h2-5,7-8H,6H2,1H3,(H,16,17)