2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-pyridin-1-ium-3-yl-propanamide

Systemtic Name: 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-pyridin-1-ium-3-yl-propanamide Openeye Name: 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-pyridin-1-ium-3-yl-propanamide CAS Name: 2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(3-pyridin-1-iumyl)propanamide IUPAC Name: 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-pyridin-1-ium-3-ylpropanamide Traditional Name: 2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-pyridin-1-ium-3-yl-propionamide Formula: C19H16F3N4OS+ MolecularWeight: 405.41675

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C[NH+]=CC=C1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C[NH+]=CC=C1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C19H15F3N4OS/c1-12(17(27)24-14-8-5-9-23-11-14)28-18-25-15(13-6-3-2-4-7-13)10-16(26-18)19(20,21)22/h2-12H,1H3,(H,24,27)/p+1