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

Systemtic Name: 1-[2-(2-methoxy-2-oxidanylidene-ethyl)sulfanylethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-(2-methoxy-2-oxo-ethyl)sulfanylethyl]triazole-4-carboxylic acid CAS Name: 1-[2-[(2-methoxy-2-oxoethyl)thio]ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-(2-methoxy-2-oxoethyl)sulfanylethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-[(2-keto-2-methoxy-ethyl)thio]ethyl]triazole-4-carboxylic acid Formula: C8H11N3O4S MolecularWeight: 245.25564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H11N3O4S/c1-15-7(12)5-16-3-2-11-4-6(8(13)14)9-10-11/h4H,2-3,5H2,1H3,(H,13,14)