2-[3,4-bis(oxidanylidene)-1-sulfanyl-1,3,5-triazinan-3-ium-2-yl]ethanal

Systemtic Name: 2-[3,4-bis(oxidanylidene)-1-sulfanyl-1,3,5-triazinan-3-ium-2-yl]ethanal Openeye Name: 2-(3,4-dioxo-1-sulfanyl-1,3,5-triazinan-3-ium-2-yl)acetaldehyde CAS Name: 2-(1-mercapto-3,4-dioxo-1,3,5-triazinan-3-ium-2-yl)acetaldehyde IUPAC Name: 2-(3,4-dioxo-1-sulfanyl-1,3,5-triazinan-3-ium-2-yl)acetaldehyde Traditional Name: 2-(3,4-diketo-1-mercapto-1,3,5-triazinan-3-ium-2-yl)acetaldehyde Formula: C5H8N3O3S+ MolecularWeight: 190.20032

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Descriptors Computed from Structure

Canonical SMILES:

C1NC(=O)[N+](=O)C(N1S)CC=O

Isomeric SMILES

C1NC(=O)[N+](=O)C(N1S)CC=O

InChI

InChI=1S/C5H7N3O3S/c9-2-1-4-7(12)3-6-5(10)8(4)11/h2,4,12H,1,3H2/p+1