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

Systemtic Name: 3-[(4-chlorophenyl)amino]-1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(4-chloroanilino)-1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(4-chloroanilino)-1-(3,4-dimethylphenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(4-chloroanilino)-1-(3,4-dimethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(4-chloroanilino)-1-(3,4-dimethylphenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C23H22ClN2OS+ MolecularWeight: 409.95158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(NC2=CC=C(C=C2)Cl)S)C(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1=C[N+](=CC=C1)C(=C(NC2=CC=C(C=C2)Cl)S)C(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H21ClN2OS/c1-15-5-4-12-26(14-15)21(22(27)18-7-6-16(2)17(3)13-18)23(28)25-20-10-8-19(24)9-11-20/h4-14H,1-3H3,(H-,25,27,28)/p+1