2-tert-butylsulfanyl-3-nitro-benzenecarbonitrile

Systemtic Name: 2-tert-butylsulfanyl-3-nitro-benzenecarbonitrile Openeye Name: 2-tert-butylsulfanyl-3-nitro-benzonitrile CAS Name: 2-(tert-butylthio)-3-nitrobenzonitrile IUPAC Name: 2-tert-butylsulfanyl-3-nitrobenzonitrile Traditional Name: 2-(tert-butylthio)-3-nitro-benzonitrile Formula: C11H12N2O2S MolecularWeight: 236.29018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=C(C=CC=C1[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)(C)SC1=C(C=CC=C1[N+](=O)[O-])C#N

InChI

InChI=1S/C11H12N2O2S/c1-11(2,3)16-10-8(7-12)5-4-6-9(10)13(14)15/h4-6H,1-3H3