(E)-N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(3-butoxy-4-methoxy-phenyl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(3-butoxy-4-methoxy-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide CAS Name: (E)-3-(3-butoxy-4-methoxyphenyl)-2-cyano-N-[4-(difluoromethylthio)phenyl]-2-propenamide IUPAC Name: (E)-3-(3-butoxy-4-methoxyphenyl)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide Traditional Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-cyano-N-[4-(difluoromethylthio)phenyl]acrylamide Formula: C22H22F2N2O3S MolecularWeight: 432.483486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)SC(F)F)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)SC(F)F)OC

InChI

InChI=1S/C22H22F2N2O3S/c1-3-4-11-29-20-13-15(5-10-19(20)28-2)12-16(14-25)21(27)26-17-6-8-18(9-7-17)30-22(23)24/h5-10,12-13,22H,3-4,11H2,1-2H3,(H,26,27)/b16-12+