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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(2-fluorophenyl)amino]-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-fluoroanilino)-1-(4-nitrophenyl)-3-sulfanyl-prop-2-en-1-one CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-3-(2-fluoroanilino)-3-mercapto-1-(4-nitrophenyl)-2-propen-1-one IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-fluoroanilino)-1-(4-nitrophenyl)-3-sulfanylprop-2-en-1-one Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-3-(2-fluoroanilino)-3-mercapto-1-(4-nitrophenyl)prop-2-en-1-one Formula: C24H23FN3O3S+ MolecularWeight: 452.521123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22FN3O3S/c1-24(2,3)17-12-14-27(15-13-17)21(23(32)26-20-7-5-4-6-19(20)25)22(29)16-8-10-18(11-9-16)28(30)31/h4-15H,1-3H3,(H-,26,29,32)/p+1