5-nitro-2-phenylsulfanyl-benzenecarbonitrile

Systemtic Name: 5-nitro-2-phenylsulfanyl-benzenecarbonitrile Openeye Name: 5-nitro-2-phenylsulfanyl-benzonitrile CAS Name: 5-nitro-2-(phenylthio)benzonitrile IUPAC Name: 5-nitro-2-phenylsulfanylbenzonitrile Traditional Name: 5-nitro-2-(phenylthio)benzonitrile Formula: C13H8N2O2S MolecularWeight: 256.27982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8N2O2S/c14-9-10-8-11(15(16)17)6-7-13(10)18-12-4-2-1-3-5-12/h1-8H