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

Systemtic Name: methyl 2-[[4-(oxolan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-isopropyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(2-oxolanylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(oxolan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-isopropyl-4-(tetrahydrofurfuryl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C13H21N3O3S MolecularWeight: 299.38914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1CC2CCCO2)SCC(=O)OC

Isomeric SMILES

CC(C)C1=NN=C(N1CC2CCCO2)SCC(=O)OC

InChI

InChI=1S/C13H21N3O3S/c1-9(2)12-14-15-13(20-8-11(17)18-3)16(12)7-10-5-4-6-19-10/h9-10H,4-8H2,1-3H3