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

Systemtic Name: 2-[[5-cyclopropyl-4-(1-pyridin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-[1-(4-pyridyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-(1-pyridin-4-ylethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(1-pyridin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-[1-(4-pyridyl)ethyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)N2C(=NN=C2SCC(=O)O)C3CC3

Isomeric SMILES

CC(C1=CC=NC=C1)N2C(=NN=C2SCC(=O)O)C3CC3

InChI

InChI=1S/C14H16N4O2S/c1-9(10-4-6-15-7-5-10)18-13(11-2-3-11)16-17-14(18)21-8-12(19)20/h4-7,9,11H,2-3,8H2,1H3,(H,19,20)