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

Systemtic Name: ethyl 2-[[4-(2-hydroxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-(2-hydroxyethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-hydroxyethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-hydroxyethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(2-hydroxyethyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CCO)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CCO)C2=CN=CC=C2

InChI

InChI=1S/C13H16N4O3S/c1-2-20-11(19)9-21-13-16-15-12(17(13)6-7-18)10-4-3-5-14-8-10/h3-5,8,18H,2,6-7,9H2,1H3