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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C23H22FN2OS+ MolecularWeight: 393.496983

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H21FN2OS/c1-15-7-6-12-26(14-15)21(22(27)18-11-10-16(2)17(3)13-18)23(28)25-20-9-5-4-8-19(20)24/h4-14H,1-3H3,(H-,25,27,28)/p+1