1-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylamino)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylamino)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(1-naphthylamino)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-fluorophenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-3-(1-naphthalenylamino)-2-propen-1-one IUPAC Name: 1-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-(naphthalen-1-ylamino)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-fluorophenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(1-naphthylamino)prop-2-en-1-one Formula: C25H20FN2OS+ MolecularWeight: 415.502503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC3=CC=CC=C32)S)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC3=CC=CC=C32)S)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H19FN2OS/c1-17-6-5-15-28(16-17)23(24(29)19-11-13-20(26)14-12-19)25(30)27-22-10-4-8-18-7-2-3-9-21(18)22/h2-16H,1H3,(H-,27,29,30)/p+1