N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-cyano-3-(3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-cyano-3-(3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enamide Openeye Name: 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enamide CAS Name: 2-cyano-N-[4-(difluoromethylthio)phenyl]-3-(3-methyl-1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: 2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-(3-methyl-1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: 2-cyano-N-[4-(difluoromethylthio)phenyl]-3-(3-methyl-1-phenyl-pyrazol-4-yl)acrylamide Formula: C21H16F2N4OS MolecularWeight: 410.439746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)SC(F)F)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)SC(F)F)C3=CC=CC=C3

InChI

InChI=1S/C21H16F2N4OS/c1-14-16(13-27(26-14)18-5-3-2-4-6-18)11-15(12-24)20(28)25-17-7-9-19(10-8-17)29-21(22)23/h2-11,13,21H,1H3,(H,25,28)