1-[2,5-bis(chloranyl)phenyl]-2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(3,5-dimethylphenyl)amino]-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 1-[2,5-bis(chloranyl)phenyl]-2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(3,5-dimethylphenyl)amino]-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(2,5-dichlorophenyl)-3-(3,5-dimethylanilino)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(2,5-dichlorophenyl)-3-(3,5-dimethylanilino)-3-mercapto-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(2,5-dichlorophenyl)-3-(3,5-dimethylanilino)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(2,5-dichlorophenyl)-3-(3,5-dimethylanilino)-3-mercapto-prop-2-en-1-one Formula: C26H27Cl2N2OS+ MolecularWeight: 486.47638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=C(C(=O)C2=C(C=CC(=C2)Cl)Cl)[N+]3=CC=C(C=C3)C(C)(C)C)S)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=C(C(=O)C2=C(C=CC(=C2)Cl)Cl)[N+]3=CC=C(C=C3)C(C)(C)C)S)C

InChI

InChI=1S/C26H26Cl2N2OS/c1-16-12-17(2)14-20(13-16)29-25(32)23(24(31)21-15-19(27)6-7-22(21)28)30-10-8-18(9-11-30)26(3,4)5/h6-15H,1-5H3,(H-,29,31,32)/p+1