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

Systemtic Name: 2-[[5-methyl-4-(3-methylbutyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[(4-isopentyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[[5-methyl-4-(3-methylbutyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-methyl-4-(3-methylbutyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[(4-isoamyl-5-methyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C10H17N3O2S MolecularWeight: 243.32588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CCC(C)C)SCC(=O)O

Isomeric SMILES

CC1=NN=C(N1CCC(C)C)SCC(=O)O

InChI

InChI=1S/C10H17N3O2S/c1-7(2)4-5-13-8(3)11-12-10(13)16-6-9(14)15/h7H,4-6H2,1-3H3,(H,14,15)