2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzenecarbonitrile

Systemtic Name: 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzenecarbonitrile Openeye Name: 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzonitrile CAS Name: 2-[[4-(trifluoromethylthio)phenyl]methylamino]benzonitrile IUPAC Name: 2-[[4-(trifluoromethylsulfanyl)phenyl]methylamino]benzonitrile Traditional Name: 2-[[4-(trifluoromethylthio)benzyl]amino]benzonitrile Formula: C15H11F3N2S MolecularWeight: 308.32145

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NCC2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NCC2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C15H11F3N2S/c16-15(17,18)21-13-7-5-11(6-8-13)10-20-14-4-2-1-3-12(14)9-19/h1-8,20H,10H2