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

Systemtic Name: 3-[(3,5-dimethylphenyl)amino]-1-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-(3,5-dimethylanilino)-1-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-(3,5-dimethylanilino)-1-(4-ethylphenyl)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 3-(3,5-dimethylanilino)-1-(4-ethylphenyl)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-(3,5-dimethylanilino)-1-(4-ethylphenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)prop-2-en-1-one Formula: C25H27N2OS+ MolecularWeight: 403.55968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC(=CC(=C2)C)C)S)[N+]3=CC=CC(=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(=C(NC2=CC(=CC(=C2)C)C)S)[N+]3=CC=CC(=C3)C

InChI

InChI=1S/C25H26N2OS/c1-5-20-8-10-21(11-9-20)24(28)23(27-12-6-7-17(2)16-27)25(29)26-22-14-18(3)13-19(4)15-22/h6-16H,5H2,1-4H3,(H-,26,28,29)/p+1