3-[(2,5-dimethylphenyl)amino]-1-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 3-[(2,5-dimethylphenyl)amino]-1-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(2,5-dimethylanilino)-1-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(2,5-dimethylanilino)-1-(4-fluorophenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(2,5-dimethylanilino)-1-(4-fluorophenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(2,5-dimethylanilino)-1-(4-fluorophenyl)-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=CC(=C(C=C1)C)NC(=C(C(=O)C2=CC=C(C=C2)F)[N+]3=CC=CC(=C3)C)S

Isomeric SMILES

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

InChI

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