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

Systemtic Name: 2,5-diethyl-3-oxidanylidene-1-sulfanyl-2H-1,3,5-triazine-3,5-diium-4-one Openeye Name: 2,5-diethyl-3-oxo-1-sulfanyl-2H-1,3,5-triazine-3,5-diium-4-one CAS Name: 2,5-diethyl-1-mercapto-3-oxo-2H-1,3,5-triazine-3,5-diium-4-one IUPAC Name: 2,5-diethyl-3-oxo-1-sulfanyl-2H-1,3,5-triazine-3,5-diium-4-one Traditional Name: 2,5-diethyl-3-keto-1-mercapto-2H-s-triazine-3,5-diium-4-one Formula: C7H13N3O2S+2 MolecularWeight: 203.26202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1N(C=[N+](C(=O)[N+]1=O)CC)S

Isomeric SMILES

CCC1N(C=[N+](C(=O)[N+]1=O)CC)S

InChI

InChI=1S/C7H13N3O2S/c1-3-6-9(13)5-8(4-2)7(11)10(6)12/h5-6,13H,3-4H2,1-2H3/q+2