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

Systemtic Name: ethyl 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Openeye Name: ethyl 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate CAS Name: 2-[[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-[[[5-(cyclopentylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]furan-3-carboxylic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CSC2=NNC(=N2)CC3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CSC2=NNC(=N2)CC3CCCC3

InChI

InChI=1S/C16H21N3O3S/c1-2-21-15(20)12-7-8-22-13(12)10-23-16-17-14(18-19-16)9-11-5-3-4-6-11/h7-8,11H,2-6,9-10H2,1H3,(H,17,18,19)