1-[4-[bis(fluoranyl)methoxy]phenyl]-2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(3,5-dimethylphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 1-[4-[bis(fluoranyl)methoxy]phenyl]-2-(4-tert-butylpyridin-1-ium-1-yl)-3-[(3,5-dimethylphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-[4-(difluoromethoxy)phenyl]-3-(3,5-dimethylanilino)-3-thioxo-prop-1-en-1-olate CAS Name: 2-(4-tert-butyl-1-pyridin-1-iumyl)-1-[4-(difluoromethoxy)phenyl]-3-(3,5-dimethylanilino)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-[4-(difluoromethoxy)phenyl]-3-(3,5-dimethylanilino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: 2-(4-tert-butylpyridin-1-ium-1-yl)-1-[4-(difluoromethoxy)phenyl]-3-(3,5-dimethylanilino)-3-thioxo-prop-1-en-1-olate Formula: C27H28F2N2O2S MolecularWeight: 482.585226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)C(=C(C2=CC=C(C=C2)OC(F)F)[O-])[N+]3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)C(=C(C2=CC=C(C=C2)OC(F)F)[O-])[N+]3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C27H28F2N2O2S/c1-17-14-18(2)16-21(15-17)30-25(34)23(31-12-10-20(11-13-31)27(3,4)5)24(32)19-6-8-22(9-7-19)33-26(28)29/h6-16,26H,1-5H3,(H-,30,32,34)