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

Systemtic Name: 1-[4-[bis(fluoranyl)methoxy]phenyl]-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-[4-(difluoromethoxy)phenyl]-3-(2-furylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-[4-(difluoromethoxy)phenyl]-3-(2-furanylmethylamino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-[4-(difluoromethoxy)phenyl]-3-(furan-2-ylmethylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-[4-(difluoromethoxy)phenyl]-3-(2-furfurylamino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C20H17F2N2O3S+ MolecularWeight: 403.422386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=C(NCC2=CC=CO2)S)C(=O)C3=CC=C(C=C3)OC(F)F

Isomeric SMILES

C1=CC=[N+](C=C1)C(=C(NCC2=CC=CO2)S)C(=O)C3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C20H16F2N2O3S/c21-20(22)27-15-8-6-14(7-9-15)18(25)17(24-10-2-1-3-11-24)19(28)23-13-16-5-4-12-26-16/h1-12,20H,13H2,(H-,23,25,28)/p+1