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

Systemtic Name: methyl 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C10H10N4O2S MolecularWeight: 250.277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N4O2S/c1-16-8(15)6-17-10-12-9(13-14-10)7-2-4-11-5-3-7/h2-5H,6H2,1H3,(H,12,13,14)