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

Systemtic Name: 1-[4-[bis(fluoranyl)methoxy]phenyl]-2-(4-tert-butylpyridin-1-ium-1-yl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-2-(4-tert-butylpyridin-1-ium-1-yl)-1-[4-(difluoromethoxy)phenyl]-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-2-(4-tert-butyl-1-pyridin-1-iumyl)-1-[4-(difluoromethoxy)phenyl]-3-mercapto-2-propen-1-one IUPAC Name: 3-anilino-2-(4-tert-butylpyridin-1-ium-1-yl)-1-[4-(difluoromethoxy)phenyl]-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-2-(4-tert-butylpyridin-1-ium-1-yl)-1-[4-(difluoromethoxy)phenyl]-3-mercapto-prop-2-en-1-one Formula: C25H25F2N2O2S+ MolecularWeight: 455.540006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24F2N2O2S/c1-25(2,3)18-13-15-29(16-14-18)21(23(32)28-19-7-5-4-6-8-19)22(30)17-9-11-20(12-10-17)31-24(26)27/h4-16,24H,1-3H3,(H-,28,30,32)/p+1