propan-2-yl 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: isopropyl 2-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OC(C)C)C2=CC=CC=N2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OC(C)C)C2=CC=CC=N2

InChI

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