(E)-3-[[4-[bis(fluoranyl)methoxy]phenyl]amino]-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-3-[[4-[bis(fluoranyl)methoxy]phenyl]amino]-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-3-[4-(difluoromethoxy)anilino]-1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-3-[4-(difluoromethoxy)anilino]-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-3-[4-(difluoromethoxy)anilino]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-3-[4-(difluoromethoxy)anilino]-1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C26H23F2N3O3S MolecularWeight: 495.540926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=C(C(=S)NC3=CC=C(C=C3)OC(F)F)[N+]4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)/C(=C(/C(=S)NC3=CC=C(C=C3)OC(F)F)\[N+]4=CC=CC=C4)/[O-]

InChI

InChI=1S/C26H23F2N3O3S/c1-17-15-22(18(2)31(17)16-21-7-6-14-33-21)24(32)23(30-12-4-3-5-13-30)25(35)29-19-8-10-20(11-9-19)34-26(27)28/h3-15,26H,16H2,1-2H3,(H-,29,32,35)