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

Systemtic Name: 2-[[5-cyclopropyl-4-(1-pyridin-3-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-[1-(3-pyridyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-[1-(3-pyridinyl)ethyl]-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(1-pyridin-3-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-[1-(3-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=CN=CC=C1)N2C(=NN=C2SCC(=O)O)C3CC3

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O2S/c1-9(11-3-2-6-15-7-11)18-13(10-4-5-10)16-17-14(18)21-8-12(19)20/h2-3,6-7,9-10H,4-5,8H2,1H3,(H,19,20)