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

Systemtic Name: 2-[(4-butan-2-yl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(5-methyl-4-sec-butyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid CAS Name: 2-[(4-butan-2-yl-5-methyl-1,2,4-triazol-3-yl)thio]acetic acid IUPAC Name: 2-[(4-butan-2-yl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(5-methyl-4-sec-butyl-1,2,4-triazol-3-yl)thio]acetic acid Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN=C1SCC(=O)O)C

Isomeric SMILES

CCC(C)N1C(=NN=C1SCC(=O)O)C

InChI

InChI=1S/C9H15N3O2S/c1-4-6(2)12-7(3)10-11-9(12)15-5-8(13)14/h6H,4-5H2,1-3H3,(H,13,14)