1-[4-[bis(fluoranyl)methoxy]phenyl]-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanyl-3-[[3-(trifluoromethyl)phenyl]amino]prop-2-en-1-one

Systemtic Name: 1-[4-[bis(fluoranyl)methoxy]phenyl]-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanyl-3-[[3-(trifluoromethyl)phenyl]amino]prop-2-en-1-one Openeye Name: 1-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one CAS Name: 1-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)-1-pyridin-1-iumyl]-3-mercapto-3-[3-(trifluoromethyl)anilino]-2-propen-1-one IUPAC Name: 1-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)pyridin-1-ium-1-yl]-3-sulfanyl-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one Traditional Name: 1-[4-(difluoromethoxy)phenyl]-3-mercapto-2-(3-methylolpyridin-1-ium-1-yl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one Formula: C23H18F5N2O3S+ MolecularWeight: 497.457636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=C(C(=O)C2=CC=C(C=C2)OC(F)F)[N+]3=CC=CC(=C3)CO)S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=C(C(=O)C2=CC=C(C=C2)OC(F)F)[N+]3=CC=CC(=C3)CO)S)C(F)(F)F

InChI

InChI=1S/C23H17F5N2O3S/c24-22(25)33-18-8-6-15(7-9-18)20(32)19(30-10-2-3-14(12-30)13-31)21(34)29-17-5-1-4-16(11-17)23(26,27)28/h1-12,22,31H,13H2,(H-,29,32,34)/p+1