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

Systemtic Name: 2-[[4-(oxolan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-isopropyl-4-(tetrahydrofuran-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(2-oxolanylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(oxolan-2-ylmethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-isopropyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O3S/c1-8(2)11-13-14-12(19-7-10(16)17)15(11)6-9-4-3-5-18-9/h8-9H,3-7H2,1-2H3,(H,16,17)