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

Systemtic Name: methyl 5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C11H13N3O3S/c1-3-9-12-11(14-13-9)18-6-7-4-5-8(17-7)10(15)16-2/h4-5H,3,6H2,1-2H3,(H,12,13,14)