4-methyl-3-oxidanylidene-5-sulfanyl-1,4-dihydro-1,3,5-triazine-3,5-diium-2-one hydrate

Systemtic Name: 4-methyl-3-oxidanylidene-5-sulfanyl-1,4-dihydro-1,3,5-triazine-3,5-diium-2-one hydrate Openeye Name: 4-methyl-3-oxo-5-sulfanyl-1,4-dihydro-1,3,5-triazine-3,5-diium-2-one hydrate CAS Name: 5-mercapto-4-methyl-3-oxo-1,4-dihydro-1,3,5-triazine-3,5-diium-2-one hydrate IUPAC Name: 4-methyl-3-oxo-5-sulfanyl-1,4-dihydro-1,3,5-triazine-3,5-diium-2-one hydrate Traditional Name: 3-keto-5-mercapto-4-methyl-1,4-dihydro-s-triazine-3,5-diium-2-one hydrate Formula: C4H9N3O3S+2 MolecularWeight: 179.19756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1[N+](=CNC(=O)[N+]1=O)S.O

Isomeric SMILES

CC1[N+](=CNC(=O)[N+]1=O)S.O

InChI

InChI=1S/C4H6N3O2S.H2O/c1-3-6(10)2-5-4(8)7(3)9;/h2-3,10H,1H3;1H2/q+1;/p+1