1-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanylethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(2-ethoxy-2-oxo-ethyl)sulfanylethyl]triazole-4-carboxylic acid CAS Name: 1-[2-[(2-ethoxy-2-oxoethyl)thio]ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(2-ethoxy-2-oxoethyl)sulfanylethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-[(2-ethoxy-2-keto-ethyl)thio]ethyl]triazole-4-carboxylic acid Formula: C9H13N3O4S MolecularWeight: 259.28222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCCN1C=C(N=N1)C(=O)O

Isomeric SMILES

CCOC(=O)CSCCN1C=C(N=N1)C(=O)O

InChI

InChI=1S/C9H13N3O4S/c1-2-16-8(13)6-17-4-3-12-5-7(9(14)15)10-11-12/h5H,2-4,6H2,1H3,(H,14,15)