N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enamide Openeye Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide CAS Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-[4-(difluoromethylthio)phenyl]-2-propenamide IUPAC Name: 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]prop-2-enamide Traditional Name: 3-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-cyano-N-[4-(difluoromethylthio)phenyl]acrylamide Formula: C18H13BrF2N2O3S MolecularWeight: 455.273226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)SC(F)F)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)SC(F)F)Br)O

InChI

InChI=1S/C18H13BrF2N2O3S/c1-26-15-8-10(7-14(19)16(15)24)6-11(9-22)17(25)23-12-2-4-13(5-3-12)27-18(20)21/h2-8,18,24H,1H3,(H,23,25)