1-[4-[bis(fluoranyl)methoxy]phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-[4-[bis(fluoranyl)methoxy]phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-1-[4-(difluoromethoxy)phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-1-[4-(difluoromethoxy)phenyl]-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-anilino-1-[4-(difluoromethoxy)phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-1-[4-(difluoromethoxy)phenyl]-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C22H19F2N2O2S+ MolecularWeight: 413.460266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC=C(C=C3)OC(F)F

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C22H18F2N2O2S/c1-15-6-5-13-26(14-15)19(21(29)25-17-7-3-2-4-8-17)20(27)16-9-11-18(12-10-16)28-22(23)24/h2-14,22H,1H3,(H-,25,27,29)/p+1