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

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

COC(=O)C1=C(C=CO1)CSC2=NNC(=N2)C3CCCC3

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NNC(=N2)C3CCCC3

InChI

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