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

Systemtic Name: 5-nitro-2-(3-phenylsulfanylpropylamino)benzenecarbonitrile Openeye Name: 5-nitro-2-(3-phenylsulfanylpropylamino)benzonitrile CAS Name: 5-nitro-2-[3-(phenylthio)propylamino]benzonitrile IUPAC Name: 5-nitro-2-(3-phenylsulfanylpropylamino)benzonitrile Traditional Name: 5-nitro-2-[3-(phenylthio)propylamino]benzonitrile Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C16H15N3O2S/c17-12-13-11-14(19(20)21)7-8-16(13)18-9-4-10-22-15-5-2-1-3-6-15/h1-3,5-8,11,18H,4,9-10H2