2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dichlorophenyl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dichlorophenyl)-3-phenylazanyl-3-sulfanyl-prop-2-en-1-one Openeye Name: 3-anilino-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dichlorophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 3-anilino-2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(3,4-dichlorophenyl)-3-mercapto-2-propen-1-one IUPAC Name: 3-anilino-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dichlorophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 3-anilino-2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dichlorophenyl)-3-mercapto-prop-2-en-1-one Formula: C24H23Cl2N2OS+ MolecularWeight: 458.42322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C(=C(NC2=CC=CC=C2)S)C(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H22Cl2N2OS/c1-24(2,3)17-11-13-28(14-12-17)21(23(30)27-18-7-5-4-6-8-18)22(29)16-9-10-19(25)20(26)15-16/h4-15H,1-3H3,(H-,27,29,30)/p+1