6-[bis(fluoranyl)methyl]-2-[(5-methanoyl-2-methoxy-phenyl)methylsulfanyl]-4-methyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-[bis(fluoranyl)methyl]-2-[(5-methanoyl-2-methoxy-phenyl)methylsulfanyl]-4-methyl-pyridin-1-ium-3-carbonitrile Openeye Name: 6-(difluoromethyl)-2-[(5-formyl-2-methoxy-phenyl)methylsulfanyl]-4-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 6-(difluoromethyl)-2-[(5-formyl-2-methoxyphenyl)methylthio]-4-methyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-(difluoromethyl)-2-[(5-formyl-2-methoxyphenyl)methylsulfanyl]-4-methylpyridin-1-ium-3-carbonitrile Traditional Name: 6-(difluoromethyl)-2-[(5-formyl-2-methoxy-benzyl)thio]-4-methyl-pyridin-1-ium-3-carbonitrile Formula: C17H15F2N2O2S+ MolecularWeight: 349.375006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)SCC2=C(C=CC(=C2)C=O)OC)C(F)F

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)SCC2=C(C=CC(=C2)C=O)OC)C(F)F

InChI

InChI=1S/C17H14F2N2O2S/c1-10-5-14(16(18)19)21-17(13(10)7-20)24-9-12-6-11(8-22)3-4-15(12)23-2/h3-6,8,16H,9H2,1-2H3/p+1