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

Systemtic Name: 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-pyridin-1-ium-3-yl-ethanamide Openeye Name: 2-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-pyridin-1-ium-3-yl-acetamide CAS Name: 2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(3-pyridin-1-iumyl)acetamide IUPAC Name: 2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-pyridin-1-ium-3-ylacetamide Traditional Name: 2-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-pyridin-1-ium-3-yl-acetamide Formula: C16H12F3N4O2S+ MolecularWeight: 381.35229

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

Isomeric SMILES

C1=CC(=C[NH+]=C1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CO3

InChI

InChI=1S/C16H11F3N4O2S/c17-16(18,19)13-7-11(12-4-2-6-25-12)22-15(23-13)26-9-14(24)21-10-3-1-5-20-8-10/h1-8H,9H2,(H,21,24)/p+1