(E)-3-[3-[[6-[bis(fluoranyl)methyl]-3-cyano-4-methyl-pyridin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-3-[3-[[6-[bis(fluoranyl)methyl]-3-cyano-4-methyl-pyridin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-2-cyano-3-[3-[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridyl]sulfanylmethyl]-4-methoxy-phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-[[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridinyl]thio]methyl]-4-methoxyphenyl]-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-2-cyano-3-[3-[[3-cyano-6-(difluoromethyl)-4-methylpyridin-2-yl]sulfanylmethyl]-4-methoxyphenyl]prop-2-enamide Traditional Name: (E)-N-benzyl-2-cyano-3-[3-[[[3-cyano-6-(difluoromethyl)-4-methyl-2-pyridyl]thio]methyl]-4-methoxy-phenyl]acrylamide Formula: C27H22F2N4O2S MolecularWeight: 504.550986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=C(C=CC(=C2)C=C(C#N)C(=O)NCC3=CC=CC=C3)OC)C(F)F

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=C(C=CC(=C2)/C=C(\C#N)/C(=O)NCC3=CC=CC=C3)OC)C(F)F

InChI

InChI=1S/C27H22F2N4O2S/c1-17-10-23(25(28)29)33-27(22(17)14-31)36-16-21-12-19(8-9-24(21)35-2)11-20(13-30)26(34)32-15-18-6-4-3-5-7-18/h3-12,25H,15-16H2,1-2H3,(H,32,34)/b20-11+