2-sulfanylidene-5-(trifluoromethyl)-1,3-diazinan-4-one

Systemtic Name: 2-sulfanylidene-5-(trifluoromethyl)-1,3-diazinan-4-one Openeye Name: 2-thioxo-5-(trifluoromethyl)hexahydropyrimidin-4-one CAS Name: 2-sulfanylidene-5-(trifluoromethyl)-1,3-diazinan-4-one IUPAC Name: 2-sulfanylidene-5-(trifluoromethyl)-1,3-diazinan-4-one Traditional Name: 2-thioxo-5-(trifluoromethyl)hexahydropyrimidin-4-one Formula: C5H5F3N2OS MolecularWeight: 198.16621

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC(=S)N1)C(F)(F)F

Isomeric SMILES

C1C(C(=O)NC(=S)N1)C(F)(F)F

InChI

InChI=1S/C5H5F3N2OS/c6-5(7,8)2-1-9-4(12)10-3(2)11/h2H,1H2,(H2,9,10,11,12)