1-(4-tert-butylphenyl)-3-[(2-fluorophenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-3-[(2-fluorophenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(4-tert-butylphenyl)-3-(2-fluoroanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(4-tert-butylphenyl)-3-(2-fluoroanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(4-tert-butylphenyl)-3-(2-fluoroanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(4-tert-butylphenyl)-3-(2-fluoroanilino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C25H26FN2OS+ MolecularWeight: 421.550143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=CC=C2F)S)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H25FN2OS/c1-17-8-7-15-28(16-17)22(24(30)27-21-10-6-5-9-20(21)26)23(29)18-11-13-19(14-12-18)25(2,3)4/h5-16H,1-4H3,(H-,27,29,30)/p+1