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

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

CC(C)C1=NN=C(N1C(C)C2=CN=CC=C2)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1C(C)C2=CN=CC=C2)SCC(=O)O

InChI

InChI=1S/C14H18N4O2S/c1-9(2)13-16-17-14(21-8-12(19)20)18(13)10(3)11-5-4-6-15-7-11/h4-7,9-10H,8H2,1-3H3,(H,19,20)