2-[(3,4-dimethyl-6-oxidanylidene-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[(3,4-dimethyl-6-oxidanylidene-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[(3,4-dimethyl-6-oxo-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(3,4-dimethyl-6-oxo-1H-pyrimidin-3-ium-2-yl)thio]-N-[4-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[(3,4-dimethyl-6-oxo-1H-pyrimidin-3-ium-2-yl)sulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(6-keto-3,4-dimethyl-1H-pyrimidin-3-ium-2-yl)thio]-N-[4-(trifluoromethyl)phenyl]acetamide Formula: C15H15F3N3O2S+ MolecularWeight: 358.35871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC(=[N+]1C)SCC(=O)NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=CC(=O)NC(=[N+]1C)SCC(=O)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H14F3N3O2S/c1-9-7-12(22)20-14(21(9)2)24-8-13(23)19-11-5-3-10(4-6-11)15(16,17)18/h3-7H,8H2,1-2H3,(H,19,23)/p+1