1-(2-butan-2-ylsulfanylethyl)-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(2-butan-2-ylsulfanylethyl)-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2-sec-butylsulfanylethyl)triazole-4-carboxylic acid CAS Name: 1-[2-(butan-2-ylthio)ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-(2-butan-2-ylsulfanylethyl)triazole-4-carboxylic acid Traditional Name: 1-[2-(sec-butylthio)ethyl]triazole-4-carboxylic acid Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCCN1C=C(N=N1)C(=O)O

Isomeric SMILES

CCC(C)SCCN1C=C(N=N1)C(=O)O

InChI

InChI=1S/C9H15N3O2S/c1-3-7(2)15-5-4-12-6-8(9(13)14)10-11-12/h6-7H,3-5H2,1-2H3,(H,13,14)