2-[2,4-bis(fluoranyl)phenyl]sulfanyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-(2,4-difluorophenyl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[(2,4-difluorophenyl)thio]-5-nitrobenzonitrile IUPAC Name: 2-(2,4-difluorophenyl)sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[(2,4-difluorophenyl)thio]-5-nitro-benzonitrile Formula: C13H6F2N2O2S MolecularWeight: 292.260746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H6F2N2O2S/c14-9-1-3-13(11(15)6-9)20-12-4-2-10(17(18)19)5-8(12)7-16/h1-6H