2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-(3-chloro-4-fluoro-phenyl)sulfanyl-5-nitro-benzonitrile CAS Name: 2-[(3-chloro-4-fluorophenyl)thio]-5-nitrobenzonitrile IUPAC Name: 2-(3-chloro-4-fluorophenyl)sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thio]-5-nitro-benzonitrile Formula: C13H6ClFN2O2S MolecularWeight: 308.715343

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H6ClFN2O2S/c14-11-6-10(2-3-12(11)15)20-13-4-1-9(17(18)19)5-8(13)7-16/h1-6H