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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)amino]-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)-3-mercapto-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)-3-mercapto-prop-2-en-1-one Formula: C26H28FN2OS+ MolecularWeight: 435.576723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2F)S)[N+]3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(=C(NC2=CC=CC=C2F)S)[N+]3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C26H27FN2OS/c1-17-10-11-19(16-18(17)2)24(30)23(25(31)28-22-9-7-6-8-21(22)27)29-14-12-20(13-15-29)26(3,4)5/h6-16H,1-5H3,(H-,28,30,31)/p+1