2-[[5-cyclopropyl-4-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-cyclopropyl-4-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-(6-methoxy-3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(6-methoxypyridin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-(6-methoxy-3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C(=NN=C2SCC(=O)O)C3CC3

Isomeric SMILES

COC1=NC=C(C=C1)N2C(=NN=C2SCC(=O)O)C3CC3

InChI

InChI=1S/C13H14N4O3S/c1-20-10-5-4-9(6-14-10)17-12(8-2-3-8)15-16-13(17)21-7-11(18)19/h4-6,8H,2-3,7H2,1H3,(H,18,19)