2-[[4-(oxolan-2-ylmethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC2CCCO2)SCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1CC2CCCO2)SCC(=O)O

InChI

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