methyl 5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NNC(=N2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C14H12N4O3S/c1-20-13(19)11-3-2-10(21-11)8-22-14-16-12(17-18-14)9-4-6-15-7-5-9/h2-7H,8H2,1H3,(H,16,17,18)