4-(2-methoxyethyl)-3-oxidanylidene-5-sulfanyl-1,4-dihydro-1,3,5-triazine-3,5-diium-2-one

Systemtic Name: 4-(2-methoxyethyl)-3-oxidanylidene-5-sulfanyl-1,4-dihydro-1,3,5-triazine-3,5-diium-2-one Openeye Name: 4-(2-methoxyethyl)-3-oxo-5-sulfanyl-1,4-dihydro-1,3,5-triazine-3,5-diium-2-one CAS Name: 5-mercapto-4-(2-methoxyethyl)-3-oxo-1,4-dihydro-1,3,5-triazine-3,5-diium-2-one IUPAC Name: 4-(2-methoxyethyl)-3-oxo-5-sulfanyl-1,4-dihydro-1,3,5-triazine-3,5-diium-2-one Traditional Name: 3-keto-5-mercapto-4-(2-methoxyethyl)-1,4-dihydro-s-triazine-3,5-diium-2-one Formula: C6H11N3O3S+2 MolecularWeight: 205.23484

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1[N+](=CNC(=O)[N+]1=O)S

Isomeric SMILES

COCCC1[N+](=CNC(=O)[N+]1=O)S

InChI

InChI=1S/C6H10N3O3S/c1-12-3-2-5-8(13)4-7-6(10)9(5)11/h4-5,13H,2-3H2,1H3/q+1/p+1