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

Systemtic Name: 1-(2,4-dichlorophenyl)-3-[(4-ethoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(2,4-dichlorophenyl)-3-mercapto-3-(p-phenetidino)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H19Cl2N2O2S+ MolecularWeight: 446.36946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18Cl2N2O2S/c1-2-28-17-9-7-16(8-10-17)25-22(29)20(26-12-4-3-5-13-26)21(27)18-11-6-15(23)14-19(18)24/h3-14H,2H2,1H3,(H-,25,27,29)/p+1