2-(3-methylsulfanylpropylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(3-methylsulfanylpropylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-(3-methylsulfanylpropylamino)-5-nitro-benzonitrile CAS Name: 2-[3-(methylthio)propylamino]-5-nitrobenzonitrile IUPAC Name: 2-(3-methylsulfanylpropylamino)-5-nitrobenzonitrile Traditional Name: 2-[3-(methylthio)propylamino]-5-nitro-benzonitrile Formula: C11H13N3O2S MolecularWeight: 251.30482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

CSCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H13N3O2S/c1-17-6-2-5-13-11-4-3-10(14(15)16)7-9(11)8-12/h3-4,7,13H,2,5-6H2,1H3