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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCCN1C=C(N=N1)C(=O)O

Isomeric SMILES

COC(=O)CCSCCN1C=C(N=N1)C(=O)O

InChI

InChI=1S/C9H13N3O4S/c1-16-8(13)2-4-17-5-3-12-6-7(9(14)15)10-11-12/h6H,2-5H2,1H3,(H,14,15)