2-(2-nitrophenyl)-2-(1H-pyrrol-2-ylsulfanyl)ethanenitrile

Systemtic Name: 2-(2-nitrophenyl)-2-(1H-pyrrol-2-ylsulfanyl)ethanenitrile Openeye Name: 2-(2-nitrophenyl)-2-(1H-pyrrol-2-ylsulfanyl)acetonitrile CAS Name: 2-(2-nitrophenyl)-2-(1H-pyrrol-2-ylthio)acetonitrile IUPAC Name: 2-(2-nitrophenyl)-2-(1H-pyrrol-2-ylsulfanyl)acetonitrile Traditional Name: 2-(2-nitrophenyl)-2-(1H-pyrrol-2-ylthio)acetonitrile Formula: C12H9N3O2S MolecularWeight: 259.28376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C#N)SC2=CC=CN2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(C#N)SC2=CC=CN2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O2S/c13-8-11(18-12-6-3-7-14-12)9-4-1-2-5-10(9)15(16)17/h1-7,11,14H