1-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]triazole-4-carboxylic acid CAS Name: 1-[2-[(6-oxo-1H-pyrimidin-2-yl)thio]ethyl]-4-triazolecarboxylic acid IUPAC Name: 1-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]triazole-4-carboxylic acid Traditional Name: 1-[2-[(6-keto-1H-pyrimidin-2-yl)thio]ethyl]triazole-4-carboxylic acid Formula: C9H9N5O3S MolecularWeight: 267.26446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(NC1=O)SCCN2C=C(N=N2)C(=O)O

Isomeric SMILES

C1=CN=C(NC1=O)SCCN2C=C(N=N2)C(=O)O

InChI

InChI=1S/C9H9N5O3S/c15-7-1-2-10-9(11-7)18-4-3-14-5-6(8(16)17)12-13-14/h1-2,5H,3-4H2,(H,16,17)(H,10,11,15)