1-(2-butylsulfanylethyl)-1,2,3-triazole-4-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCN1C=C(N=N1)C(=O)O

Isomeric SMILES

CCCCSCCN1C=C(N=N1)C(=O)O

InChI

InChI=1S/C9H15N3O2S/c1-2-3-5-15-6-4-12-7-8(9(13)14)10-11-12/h7H,2-6H2,1H3,(H,13,14)