3-[(3-fluoranyl-4-methyl-phenyl)amino]-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(3-fluoranyl-4-methyl-phenyl)amino]-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3-fluoro-4-methyl-anilino)-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3-fluoro-4-methylanilino)-1-(4-fluorophenyl)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3-fluoro-4-methylanilino)-1-(4-fluorophenyl)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3-fluoro-4-methyl-anilino)-1-(4-fluorophenyl)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C21H17F2N2OS+ MolecularWeight: 383.434286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3)S)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC=C3)S)F

InChI

InChI=1S/C21H16F2N2OS/c1-14-5-10-17(13-18(14)23)24-21(27)19(25-11-3-2-4-12-25)20(26)15-6-8-16(22)9-7-15/h2-13H,1H3,(H-,24,26,27)/p+1