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

Systemtic Name: 4-azanyl-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]benzenecarbonitrile Openeye Name: 4-amino-2-(2,2,2-trifluoroethylsulfanyl)benzonitrile CAS Name: 4-amino-2-(2,2,2-trifluoroethylthio)benzonitrile IUPAC Name: 4-amino-2-(2,2,2-trifluoroethylsulfanyl)benzonitrile Traditional Name: 4-amino-2-(2,2,2-trifluoroethylthio)benzonitrile Formula: C9H7F3N2S MolecularWeight: 232.22549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)SCC(F)(F)F)C#N

Isomeric SMILES

C1=CC(=C(C=C1N)SCC(F)(F)F)C#N

InChI

InChI=1S/C9H7F3N2S/c10-9(11,12)5-15-8-3-7(14)2-1-6(8)4-13/h1-3H,5,14H2