methyl 2-[[5-ethyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-ethyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-ethyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-ethyl-4-(2-oxolanylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-ethyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-ethyl-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C12H19N3O3S MolecularWeight: 285.36256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC2CCCO2)SCC(=O)OC

Isomeric SMILES

CCC1=NN=C(N1CC2CCCO2)SCC(=O)OC

InChI

InChI=1S/C12H19N3O3S/c1-3-10-13-14-12(19-8-11(16)17-2)15(10)7-9-5-4-6-18-9/h9H,3-8H2,1-2H3