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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(4-methylphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dimethylphenyl)-3-(4-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-mercapto-3-(4-methylanilino)-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dimethylphenyl)-3-(4-methylanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dimethylphenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(p-toluidino)prop-2-en-1-one Formula: C24H25N2OS+ MolecularWeight: 389.5331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2OS/c1-16-7-11-21(12-8-16)25-24(28)22(26-13-5-6-17(2)15-26)23(27)20-10-9-18(3)19(4)14-20/h5-15H,1-4H3,(H-,25,27,28)/p+1