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

Systemtic Name: methyl 5-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)C3CC3

InChI

InChI=1S/C14H17N3O3S/c1-3-17-12(9-4-5-9)15-16-14(17)21-8-10-6-7-11(20-10)13(18)19-2/h6-7,9H,3-5,8H2,1-2H3