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

Systemtic Name: 2-[[4-(3-methylbutan-2-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(1,2-dimethylpropyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-methylbutan-2-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-methylbutan-2-yl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(1,2-dimethylpropyl)-5-isopropyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H21N3O2S MolecularWeight: 271.37904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C(C)C(C)C)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1C(C)C(C)C)SCC(=O)O

InChI

InChI=1S/C12H21N3O2S/c1-7(2)9(5)15-11(8(3)4)13-14-12(15)18-6-10(16)17/h7-9H,6H2,1-5H3,(H,16,17)