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

Systemtic Name: 1-[4-[bis(fluoranyl)methoxy]phenyl]-3-phenylazanyl-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 3-anilino-1-[4-(difluoromethoxy)phenyl]-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: 3-anilino-1-[4-(difluoromethoxy)phenyl]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: 3-anilino-1-[4-(difluoromethoxy)phenyl]-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 3-anilino-1-[4-(difluoromethoxy)phenyl]-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C21H16F2N2O2S MolecularWeight: 398.425746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16F2N2O2S/c22-21(23)27-17-11-9-15(10-12-17)19(26)18(25-13-5-2-6-14-25)20(28)24-16-7-3-1-4-8-16/h1-14,21H,(H-,24,26,28)