4-[(3-nitrophenyl)methylsulfanyl]pyridine-2-carbonitrile

Systemtic Name: 4-[(3-nitrophenyl)methylsulfanyl]pyridine-2-carbonitrile Openeye Name: 4-[(3-nitrophenyl)methylsulfanyl]pyridine-2-carbonitrile CAS Name: 4-[(3-nitrophenyl)methylthio]-2-pyridinecarbonitrile IUPAC Name: 4-[(3-nitrophenyl)methylsulfanyl]pyridine-2-carbonitrile Traditional Name: 4-[(3-nitrobenzyl)thio]picolinonitrile Formula: C13H9N3O2S MolecularWeight: 271.29446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=CC(=NC=C2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=CC(=NC=C2)C#N

InChI

InChI=1S/C13H9N3O2S/c14-8-11-7-13(4-5-15-11)19-9-10-2-1-3-12(6-10)16(17)18/h1-7H,9H2