2,5-dimethyl-3-oxidanylidene-1-sulfanyl-2H-1,3,5-triazine-3,5-diium-4-one

Systemtic Name: 2,5-dimethyl-3-oxidanylidene-1-sulfanyl-2H-1,3,5-triazine-3,5-diium-4-one Openeye Name: 2,5-dimethyl-3-oxo-1-sulfanyl-2H-1,3,5-triazine-3,5-diium-4-one CAS Name: 1-mercapto-2,5-dimethyl-3-oxo-2H-1,3,5-triazine-3,5-diium-4-one IUPAC Name: 2,5-dimethyl-3-oxo-1-sulfanyl-2H-1,3,5-triazine-3,5-diium-4-one Traditional Name: 3-keto-1-mercapto-2,5-dimethyl-2H-s-triazine-3,5-diium-4-one Formula: C5H9N3O2S+2 MolecularWeight: 175.20886

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C=[N+](C(=O)[N+]1=O)C)S

Isomeric SMILES

CC1N(C=[N+](C(=O)[N+]1=O)C)S

InChI

InChI=1S/C5H9N3O2S/c1-4-7(11)3-6(2)5(9)8(4)10/h3-4,11H,1-2H3/q+2