2-(4-nitrophenyl)sulfanyl-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-(4-nitrophenyl)sulfanyl-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-(4-nitrophenyl)sulfanyl-5-(trifluoromethyl)benzonitrile CAS Name: 2-[(4-nitrophenyl)thio]-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-(4-nitrophenyl)sulfanyl-5-(trifluoromethyl)benzonitrile Traditional Name: 2-[(4-nitrophenyl)thio]-5-(trifluoromethyl)benzonitrile Formula: C14H7F3N2O2S MolecularWeight: 324.27779

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SC2=C(C=C(C=C2)C(F)(F)F)C#N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SC2=C(C=C(C=C2)C(F)(F)F)C#N

InChI

InChI=1S/C14H7F3N2O2S/c15-14(16,17)10-1-6-13(9(7-10)8-18)22-12-4-2-11(3-5-12)19(20)21/h1-7H