1,1-dibutyl-2-sulfanylidene-1,3-diazinan-1-ium-4,6-dione

Systemtic Name: 1,1-dibutyl-2-sulfanylidene-1,3-diazinan-1-ium-4,6-dione Openeye Name: 1,1-dibutyl-2-thioxo-hexahydropyrimidin-1-ium-4,6-dione CAS Name: 1,1-dibutyl-2-sulfanylidene-1,3-diazinan-1-ium-4,6-dione IUPAC Name: 1,1-dibutyl-2-sulfanylidene-1,3-diazinan-1-ium-4,6-dione Traditional Name: 1,1-dibutyl-2-thioxo-hexahydropyrimidin-1-ium-4,6-quinone Formula: C12H21N2O2S+ MolecularWeight: 257.37234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C(=O)CC(=O)NC1=S)CCCC

Isomeric SMILES

CCCC[N+]1(C(=O)CC(=O)NC1=S)CCCC

InChI

InChI=1S/C12H20N2O2S/c1-3-5-7-14(8-6-4-2)11(16)9-10(15)13-12(14)17/h3-9H2,1-2H3/p+1