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

Systemtic Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-[(2-fluorophenyl)amino]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-(2-fluoroanilino)-3-thioxo-prop-1-en-1-olate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-(3-chlorophenyl)-3-(2-fluoroanilino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-(2-fluoroanilino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-(3-chlorophenyl)-3-(2-fluoroanilino)-3-thioxo-prop-1-en-1-olate Formula: C24H22ClFN2OS MolecularWeight: 440.960683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C(=C(C2=CC(=CC=C2)Cl)[O-])C(=S)NC3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C(=C(C2=CC(=CC=C2)Cl)[O-])C(=S)NC3=CC=CC=C3F

InChI

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