3-nitro-4-pyridin-2-ylsulfanyl-benzenecarbonitrile

Systemtic Name: 3-nitro-4-pyridin-2-ylsulfanyl-benzenecarbonitrile Openeye Name: 3-nitro-4-(2-pyridylsulfanyl)benzonitrile CAS Name: 3-nitro-4-(2-pyridinylthio)benzonitrile IUPAC Name: 3-nitro-4-pyridin-2-ylsulfanylbenzonitrile Traditional Name: 3-nitro-4-(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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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