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

Systemtic Name: 1-(3,4-dichlorophenyl)-3-[(3-methoxyphenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: 1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: 1-(3,4-dichlorophenyl)-3-mercapto-3-(3-methoxyanilino)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: 1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: 1-(3,4-dichlorophenyl)-3-(m-anisidino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C21H17Cl2N2O2S+ MolecularWeight: 432.34288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=C(C(=O)C2=CC(=C(C=C2)Cl)Cl)[N+]3=CC=CC=C3)S

Isomeric SMILES

COC1=CC=CC(=C1)NC(=C(C(=O)C2=CC(=C(C=C2)Cl)Cl)[N+]3=CC=CC=C3)S

InChI

InChI=1S/C21H16Cl2N2O2S/c1-27-16-7-5-6-15(13-16)24-21(28)19(25-10-3-2-4-11-25)20(26)14-8-9-17(22)18(23)12-14/h2-13H,1H3,(H-,24,26,28)/p+1