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

Systemtic Name: ethyl 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

InChI

InChI=1S/C11H12N4O2S/c1-2-17-9(16)7-18-11-13-10(14-15-11)8-3-5-12-6-4-8/h3-6H,2,7H2,1H3,(H,13,14,15)