2-[3,4-bis(fluoranyl)phenyl]sulfanyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-(3,4-difluorophenyl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[(3,4-difluorophenyl)thio]-5-nitrobenzonitrile IUPAC Name: 2-(3,4-difluorophenyl)sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[(3,4-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=CC(=C(C=C2)F)F

Isomeric SMILES

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

InChI

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