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

Systemtic Name: 1-[4-[bis(fluoranyl)methoxy]phenyl]-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-[4-(difluoromethoxy)phenyl]-3-(1-naphthylamino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-[4-(difluoromethoxy)phenyl]-3-mercapto-3-(1-naphthalenylamino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-[4-(difluoromethoxy)phenyl]-3-(naphthalen-1-ylamino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-[4-(difluoromethoxy)phenyl]-3-mercapto-3-(1-naphthylamino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C25H19F2N2O2S+ MolecularWeight: 449.492366

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C(=C(NC2=CC=CC3=CC=CC=C32)S)C(=O)C4=CC=C(C=C4)OC(F)F

Isomeric SMILES

C1=CC=[N+](C=C1)C(=C(NC2=CC=CC3=CC=CC=C32)S)C(=O)C4=CC=C(C=C4)OC(F)F

InChI

InChI=1S/C25H18F2N2O2S/c26-25(27)31-19-13-11-18(12-14-19)23(30)22(29-15-4-1-5-16-29)24(32)28-21-10-6-8-17-7-2-3-9-20(17)21/h1-16,25H,(H-,28,30,32)/p+1