(E)-1-[4-[bis(fluoranyl)methoxy]phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-[4-[bis(fluoranyl)methoxy]phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-[(4-morpholin-4-ylsulfonylphenyl)amino]-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-[4-(difluoromethoxy)phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-(4-morpholinosulfonylanilino)-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-[4-(difluoromethoxy)phenyl]-2-(3-methyl-1-pyridin-1-iumyl)-3-[4-(4-morpholinylsulfonyl)anilino]-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-[4-(difluoromethoxy)phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-(4-morpholin-4-ylsulfonylanilino)-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-[4-(difluoromethoxy)phenyl]-2-(3-methylpyridin-1-ium-1-yl)-3-(4-morpholinosulfonylanilino)-3-thioxo-prop-1-en-1-olate Formula: C26H25F2N3O5S2 MolecularWeight: 561.620606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C(=C(C2=CC=C(C=C2)OC(F)F)[O-])C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C[N+](=CC=C1)/C(=C(\C2=CC=C(C=C2)OC(F)F)/[O-])/C(=S)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C26H25F2N3O5S2/c1-18-3-2-12-30(17-18)23(24(32)19-4-8-21(9-5-19)36-26(27)28)25(37)29-20-6-10-22(11-7-20)38(33,34)31-13-15-35-16-14-31/h2-12,17,26H,13-16H2,1H3,(H-,29,32,37)