5-nitro-2-pyridin-2-ylsulfanyl-benzenecarbonitrile

Systemtic Name: 5-nitro-2-pyridin-2-ylsulfanyl-benzenecarbonitrile Openeye Name: 5-nitro-2-(2-pyridylsulfanyl)benzonitrile CAS Name: 5-nitro-2-(2-pyridinylthio)benzonitrile IUPAC Name: 5-nitro-2-pyridin-2-ylsulfanylbenzonitrile Traditional Name: 5-nitro-2-(2-pyridylthio)benzonitrile Formula: C12H7N3O2S MolecularWeight: 257.26788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7N3O2S/c13-8-9-7-10(15(16)17)4-5-11(9)18-12-3-1-2-6-14-12/h1-7H