(Z)-1-(4-tert-butylphenyl)-3-[(2-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one

Systemtic Name: (Z)-1-(4-tert-butylphenyl)-3-[(2-fluorophenyl)amino]-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one Openeye Name: (Z)-1-(4-tert-butylphenyl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanyl-prop-2-en-1-one CAS Name: (Z)-1-(4-tert-butylphenyl)-3-(2-fluoroanilino)-3-mercapto-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-1-(4-tert-butylphenyl)-3-(2-fluoroanilino)-2-pyridin-1-ium-1-yl-3-sulfanylprop-2-en-1-one Traditional Name: (Z)-1-(4-tert-butylphenyl)-3-(2-fluoroanilino)-3-mercapto-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C24H24FN2OS+ MolecularWeight: 407.523563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23FN2OS/c1-24(2,3)18-13-11-17(12-14-18)22(28)21(27-15-7-4-8-16-27)23(29)26-20-10-6-5-9-19(20)25/h4-16H,1-3H3,(H-,26,28,29)/p+1