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

Systemtic Name: 2-[[5-propyl-4-(1-pyridin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-propyl-4-[1-(4-pyridyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-propyl-4-(1-pyridin-4-ylethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-propyl-4-(1-pyridin-4-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-propyl-4-[1-(4-pyridyl)ethyl]-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C(C)C2=CC=NC=C2)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1C(C)C2=CC=NC=C2)SCC(=O)O

InChI

InChI=1S/C14H18N4O2S/c1-3-4-12-16-17-14(21-9-13(19)20)18(12)10(2)11-5-7-15-8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,19,20)