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

Systemtic Name: N-pyridin-1-ium-3-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-pyridin-1-ium-3-yl-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(3-pyridin-1-iumyl)-2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-pyridin-1-ium-3-yl-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-pyridin-1-ium-3-yl-2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C16H12F3N4OS2+ MolecularWeight: 397.41789

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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=CS3

Isomeric SMILES

C1=CC(=C[NH+]=C1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C16H11F3N4OS2/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