2-[2-(4-methylphenyl)sulfanylethylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[2-(4-methylphenyl)sulfanylethylamino]-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-[2-(p-tolylsulfanyl)ethylamino]benzonitrile CAS Name: 2-[2-[(4-methylphenyl)thio]ethylamino]-5-nitrobenzonitrile IUPAC Name: 2-[2-(4-methylphenyl)sulfanylethylamino]-5-nitrobenzonitrile Traditional Name: 5-nitro-2-[2-(p-tolylthio)ethylamino]benzonitrile Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H15N3O2S/c1-12-2-5-15(6-3-12)22-9-8-18-16-7-4-14(19(20)21)10-13(16)11-17/h2-7,10,18H,8-9H2,1H3