2-[(2-nitrophenyl)methylsulfanyl-[[3-(trifluoromethyl)phenyl]amino]methylidene]propanedinitrile

Systemtic Name: 2-[(2-nitrophenyl)methylsulfanyl-[[3-(trifluoromethyl)phenyl]amino]methylidene]propanedinitrile Openeye Name: 2-[(2-nitrophenyl)methylsulfanyl-[3-(trifluoromethyl)anilino]methylene]propanedinitrile CAS Name: 2-[[(2-nitrophenyl)methylthio]-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile IUPAC Name: 2-[(2-nitrophenyl)methylsulfanyl-[3-(trifluoromethyl)anilino]methylidene]propanedinitrile Traditional Name: 2-[[(2-nitrobenzyl)thio]-[3-(trifluoromethyl)anilino]methylene]malononitrile Formula: C18H11F3N4O2S MolecularWeight: 404.36575

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC(=C(C#N)C#N)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC(=C(C#N)C#N)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H11F3N4O2S/c19-18(20,21)14-5-3-6-15(8-14)24-17(13(9-22)10-23)28-11-12-4-1-2-7-16(12)25(26)27/h1-8,24H,11H2