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

Systemtic Name: 3-oxidanylidene-4-prop-2-enyl-5-sulfanyl-1,4-dihydro-1,3,5-triazine-3,5-diium-2-one Openeye Name: 4-allyl-3-oxo-5-sulfanyl-1,4-dihydro-1,3,5-triazine-3,5-diium-2-one CAS Name: 5-mercapto-3-oxo-4-prop-2-enyl-1,4-dihydro-1,3,5-triazine-3,5-diium-2-one IUPAC Name: 3-oxo-4-prop-2-enyl-5-sulfanyl-1,4-dihydro-1,3,5-triazine-3,5-diium-2-one Traditional Name: 4-allyl-3-keto-5-mercapto-1,4-dihydro-s-triazine-3,5-diium-2-one Formula: C6H9N3O2S+2 MolecularWeight: 187.21956

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1[N+](=CNC(=O)[N+]1=O)S

Isomeric SMILES

C=CCC1[N+](=CNC(=O)[N+]1=O)S

InChI

InChI=1S/C6H8N3O2S/c1-2-3-5-8(12)4-7-6(10)9(5)11/h2,4-5,12H,1,3H2/q+1/p+1