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

Systemtic Name: ethyl 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=CO2)C(=O)OCC)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=CO2)C(=O)OCC)C3=CC=NC=C3

InChI

InChI=1S/C17H18N4O3S/c1-3-21-15(12-5-8-18-9-6-12)19-20-17(21)25-11-14-13(7-10-24-14)16(22)23-4-2/h5-10H,3-4,11H2,1-2H3