2-methyl-5-oxidanylidene-3-sulfanyl-1,2-dihydro-1,3,5-triazine-3,5-diium-6-one

Systemtic Name: 2-methyl-5-oxidanylidene-3-sulfanyl-1,2-dihydro-1,3,5-triazine-3,5-diium-6-one Openeye Name: 2-methyl-5-oxo-3-sulfanyl-1,2-dihydro-1,3,5-triazine-3,5-diium-6-one CAS Name: 3-mercapto-2-methyl-5-oxo-1,2-dihydro-1,3,5-triazine-3,5-diium-6-one IUPAC Name: 2-methyl-5-oxo-3-sulfanyl-1,2-dihydro-1,3,5-triazine-3,5-diium-6-one Traditional Name: 5-keto-3-mercapto-2-methyl-1,2-dihydro-s-triazine-3,5-diium-6-one Formula: C4H7N3O2S+2 MolecularWeight: 161.18228

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC(=O)[N+](=O)C=[N+]1S

Isomeric SMILES

CC1NC(=O)[N+](=O)C=[N+]1S

InChI

InChI=1S/C4H6N3O2S/c1-3-5-4(8)6(9)2-7(3)10/h2-3H,1H3,(H-,5,8,9,10)/q+1/p+1