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

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[(4-ethoxyphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dichlorophenyl)-3-(4-ethoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dichlorophenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(p-phenetidino)prop-2-en-1-one Formula: C23H21Cl2N2O2S+ MolecularWeight: 460.39604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC(=C(C=C2)Cl)Cl)[N+]3=CC=CC(=C3)C)S

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=C(C(=O)C2=CC(=C(C=C2)Cl)Cl)[N+]3=CC=CC(=C3)C)S

InChI

InChI=1S/C23H20Cl2N2O2S/c1-3-29-18-9-7-17(8-10-18)26-23(30)21(27-12-4-5-15(2)14-27)22(28)16-6-11-19(24)20(25)13-16/h4-14H,3H2,1-2H3,(H-,26,28,30)/p+1