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

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(2-ethoxyphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dimethylphenyl)-3-(2-ethoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-(2-ethoxyanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dimethylphenyl)-3-(2-ethoxyanilino)-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-(o-phenetidino)prop-2-en-1-one Formula: C25H27N2O2S+ MolecularWeight: 419.55908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=C(C(=O)C2=CC(=C(C=C2)C)C)[N+]3=CC=CC(=C3)C)S

Isomeric SMILES

CCOC1=CC=CC=C1NC(=C(C(=O)C2=CC(=C(C=C2)C)C)[N+]3=CC=CC(=C3)C)S

InChI

InChI=1S/C25H26N2O2S/c1-5-29-22-11-7-6-10-21(22)26-25(30)23(27-14-8-9-17(2)16-27)24(28)20-13-12-18(3)19(4)15-20/h6-16H,5H2,1-4H3,(H-,26,28,30)/p+1