ethyl 2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-butyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-butyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-butyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)OCC)C2=CC=CO2

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)OCC)C2=CC=CO2

InChI

InChI=1S/C14H19N3O3S/c1-3-5-8-17-13(11-7-6-9-20-11)15-16-14(17)21-10-12(18)19-4-2/h6-7,9H,3-5,8,10H2,1-2H3