5-methyl-1-oxidanylidene-5-sulfanyl-1,3,5-triazinane-1,5-diium-2-one

Systemtic Name: 5-methyl-1-oxidanylidene-5-sulfanyl-1,3,5-triazinane-1,5-diium-2-one Openeye Name: 5-methyl-1-oxo-5-sulfanyl-1,3,5-triazinane-1,5-diium-2-one CAS Name: 5-mercapto-5-methyl-1-oxo-1,3,5-triazinane-1,5-diium-2-one IUPAC Name: 5-methyl-1-oxo-5-sulfanyl-1,3,5-triazinane-1,5-diium-2-one Traditional Name: 1-keto-5-mercapto-5-methyl-1,3,5-triazinane-1,5-diium-2-one Formula: C4H9N3O2S+2 MolecularWeight: 163.19816

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CNC(=O)[N+](=O)C1)S

Isomeric SMILES

C[N+]1(CNC(=O)[N+](=O)C1)S

InChI

InChI=1S/C4H8N3O2S/c1-7(10)2-5-4(8)6(9)3-7/h10H,2-3H2,1H3/q+1/p+1