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

Systemtic Name: 1-(3-chlorophenyl)-3-[(4-ethoxyphenyl)amino]-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3-chlorophenyl)-3-(4-ethoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3-chlorophenyl)-3-(4-ethoxyanilino)-3-mercapto-2-(3-methyl-1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3-chlorophenyl)-3-(4-ethoxyanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3-chlorophenyl)-3-mercapto-2-(3-methylpyridin-1-ium-1-yl)-3-(p-phenetidino)prop-2-en-1-one Formula: C23H22ClN2O2S+ MolecularWeight: 425.95098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O2S/c1-3-28-20-11-9-19(10-12-20)25-23(29)21(26-13-5-6-16(2)15-26)22(27)17-7-4-8-18(24)14-17/h4-15H,3H2,1-2H3,(H-,25,27,29)/p+1