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

Systemtic Name: N-(pyridin-1-ium-3-ylmethyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(pyridin-1-ium-3-ylmethyl)-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(3-pyridin-1-iumylmethyl)-2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(pyridin-1-ium-3-ylmethyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(pyridin-1-ium-3-ylmethyl)-2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C17H14F3N4OS2+ MolecularWeight: 411.44447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13F3N4OS2/c18-17(19,20)14-7-12(13-4-2-6-26-13)23-16(24-14)27-10-15(25)22-9-11-3-1-5-21-8-11/h1-8H,9-10H2,(H,22,25)/p+1