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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1[N+](=CNC(=O)[N+]1=O)S

Isomeric SMILES

CCCCC1[N+](=CNC(=O)[N+]1=O)S

InChI

InChI=1S/C7H12N3O2S/c1-2-3-4-6-9(13)5-8-7(11)10(6)12/h5-6,13H,2-4H2,1H3/q+1/p+1