2-[[5-methyl-4-(1-pyridin-3-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-methyl-4-(1-pyridin-3-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-methyl-4-[1-(3-pyridyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-methyl-4-[1-(3-pyridinyl)ethyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-methyl-4-(1-pyridin-3-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-methyl-4-[1-(3-pyridyl)ethyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C(C)C2=CN=CC=C2)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C(C)C2=CN=CC=C2)SCC(=O)O

InChI

InChI=1S/C12H14N4O2S/c1-8(10-4-3-5-13-6-10)16-9(2)14-15-12(16)19-7-11(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)