4-azanyl-5-bromanyl-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]benzenecarbonitrile

Systemtic Name: 4-azanyl-5-bromanyl-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]benzenecarbonitrile Openeye Name: 4-amino-5-bromo-2-(2,2,2-trifluoroethylsulfanyl)benzonitrile CAS Name: 4-amino-5-bromo-2-(2,2,2-trifluoroethylthio)benzonitrile IUPAC Name: 4-amino-5-bromo-2-(2,2,2-trifluoroethylsulfanyl)benzonitrile Traditional Name: 4-amino-5-bromo-2-(2,2,2-trifluoroethylthio)benzonitrile Formula: C9H6BrF3N2S MolecularWeight: 311.12155

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Br)N)SCC(F)(F)F)C#N

Isomeric SMILES

C1=C(C(=CC(=C1Br)N)SCC(F)(F)F)C#N

InChI

InChI=1S/C9H6BrF3N2S/c10-6-1-5(3-14)8(2-7(6)15)16-4-9(11,12)13/h1-2H,4,15H2