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

Systemtic Name: ethyl 2-[[4-(3-oxidanylpropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-(3-hydroxypropyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-hydroxypropyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(3-hydroxypropyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-hydroxypropyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CCCO)C2=CN=CC=C2

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CCCO)C2=CN=CC=C2

InChI

InChI=1S/C14H18N4O3S/c1-2-21-12(20)10-22-14-17-16-13(18(14)7-4-8-19)11-5-3-6-15-9-11/h3,5-6,9,19H,2,4,7-8,10H2,1H3