2-[[[3-fluoranyl-4-(trifluoromethyl)phenyl]amino]-phenacylsulfanyl-methylidene]propanedinitrile

Systemtic Name: 2-[[[3-fluoranyl-4-(trifluoromethyl)phenyl]amino]-phenacylsulfanyl-methylidene]propanedinitrile Openeye Name: 2-[[3-fluoro-4-(trifluoromethyl)anilino]-phenacylsulfanyl-methylene]propanedinitrile CAS Name: 2-[[3-fluoro-4-(trifluoromethyl)anilino]-(phenacylthio)methylidene]propanedinitrile IUPAC Name: 2-[[3-fluoro-4-(trifluoromethyl)anilino]-phenacylsulfanylmethylidene]propanedinitrile Traditional Name: 2-[[3-fluoro-4-(trifluoromethyl)anilino]-(phenacylthio)methylene]malononitrile Formula: C19H11F4N3OS MolecularWeight: 405.368753

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC(=C(C#N)C#N)NC2=CC(=C(C=C2)C(F)(F)F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC(=C(C#N)C#N)NC2=CC(=C(C=C2)C(F)(F)F)F

InChI

InChI=1S/C19H11F4N3OS/c20-16-8-14(6-7-15(16)19(21,22)23)26-18(13(9-24)10-25)28-11-17(27)12-4-2-1-3-5-12/h1-8,26H,11H2