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

Systemtic Name: 2-azanyl-5-chloranyl-4-[2,2,2-tris(fluoranyl)ethylsulfanyl]benzenecarbonitrile Openeye Name: 2-amino-5-chloro-4-(2,2,2-trifluoroethylsulfanyl)benzonitrile CAS Name: 2-amino-5-chloro-4-(2,2,2-trifluoroethylthio)benzonitrile IUPAC Name: 2-amino-5-chloro-4-(2,2,2-trifluoroethylsulfanyl)benzonitrile Traditional Name: 2-amino-5-chloro-4-(2,2,2-trifluoroethylthio)benzonitrile Formula: C9H6ClF3N2S MolecularWeight: 266.67055

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1Cl)SCC(F)(F)F)N)C#N

Isomeric SMILES

C1=C(C(=CC(=C1Cl)SCC(F)(F)F)N)C#N

InChI

InChI=1S/C9H6ClF3N2S/c10-6-1-5(3-14)7(15)2-8(6)16-4-9(11,12)13/h1-2H,4,15H2