2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(4-chlorophenyl)amino]-1-(4-fluorophenyl)-3-sulfanyl-prop-2-en-1-one

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(4-chlorophenyl)amino]-1-(4-fluorophenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-chloroanilino)-1-(4-fluorophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(4-chloroanilino)-1-(4-fluorophenyl)-3-mercapto-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-chloroanilino)-1-(4-fluorophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(4-chloroanilino)-1-(4-fluorophenyl)-3-mercapto-prop-2-en-1-one Formula: C24H23ClFN2OS+ MolecularWeight: 441.968623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClFN2OS/c1-24(2,3)17-12-14-28(15-13-17)21(22(29)16-4-8-19(26)9-5-16)23(30)27-20-10-6-18(25)7-11-20/h4-15H,1-3H3,(H-,27,29,30)/p+1