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

Systemtic Name: 1-[4-[bis(fluoranyl)methoxy]phenyl]-2-(4-tert-butylpyridin-1-ium-1-yl)-3-phenylazanyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-anilino-2-(4-tert-butylpyridin-1-ium-1-yl)-1-[4-(difluoromethoxy)phenyl]-3-thioxo-prop-1-en-1-olate CAS Name: 3-anilino-2-(4-tert-butyl-1-pyridin-1-iumyl)-1-[4-(difluoromethoxy)phenyl]-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-anilino-2-(4-tert-butylpyridin-1-ium-1-yl)-1-[4-(difluoromethoxy)phenyl]-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-anilino-2-(4-tert-butylpyridin-1-ium-1-yl)-1-[4-(difluoromethoxy)phenyl]-3-thioxo-prop-1-en-1-olate Formula: C25H24F2N2O2S MolecularWeight: 454.532066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=[N+](C=C1)C(=C(C2=CC=C(C=C2)OC(F)F)[O-])C(=S)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=[N+](C=C1)C(=C(C2=CC=C(C=C2)OC(F)F)[O-])C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C25H24F2N2O2S/c1-25(2,3)18-13-15-29(16-14-18)21(23(32)28-19-7-5-4-6-8-19)22(30)17-9-11-20(12-10-17)31-24(26)27/h4-16,24H,1-3H3,(H-,28,30,32)