2-[[5-cyclopropyl-4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-cyclopropyl-4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-cyclopropyl-4-(2-methoxy-1-methyl-ethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-cyclopropyl-4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-cyclopropyl-4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-cyclopropyl-4-(2-methoxy-1-methyl-ethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C11H17N3O3S MolecularWeight: 271.33598

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=NN=C1SCC(=O)O)C2CC2

Isomeric SMILES

CC(COC)N1C(=NN=C1SCC(=O)O)C2CC2

InChI

InChI=1S/C11H17N3O3S/c1-7(5-17-2)14-10(8-3-4-8)12-13-11(14)18-6-9(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)