5-oxidanylidene-3-sulfanylidene-1,2,4-triazinane-6-carboxylic acid

Systemtic Name: 5-oxidanylidene-3-sulfanylidene-1,2,4-triazinane-6-carboxylic acid Openeye Name: 5-oxo-3-thioxo-1,2,4-triazinane-6-carboxylic acid CAS Name: 5-oxo-3-sulfanylidene-1,2,4-triazinane-6-carboxylic acid IUPAC Name: 5-oxo-3-sulfanylidene-1,2,4-triazinane-6-carboxylic acid Traditional Name: 5-keto-3-thioxo-1,2,4-triazinane-6-carboxylic acid Formula: C4H5N3O3S MolecularWeight: 175.1658

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Descriptors Computed from Structure

Canonical SMILES:

C1(C(=O)NC(=S)NN1)C(=O)O

Isomeric SMILES

C1(C(=O)NC(=S)NN1)C(=O)O

InChI

InChI=1S/C4H5N3O3S/c8-2-1(3(9)10)6-7-4(11)5-2/h1,6H,(H,9,10)(H2,5,7,8,11)