4-(2-butylsulfanylethylsulfanyl)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(2-butylsulfanylethylsulfanyl)-3-nitro-benzenecarbonitrile Openeye Name: 4-(2-butylsulfanylethylsulfanyl)-3-nitro-benzonitrile CAS Name: 4-[2-(butylthio)ethylthio]-3-nitrobenzonitrile IUPAC Name: 4-(2-butylsulfanylethylsulfanyl)-3-nitrobenzonitrile Traditional Name: 4-[2-(butylthio)ethylthio]-3-nitro-benzonitrile Formula: C13H16N2O2S2 MolecularWeight: 296.40834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCSC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCSCCSC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O2S2/c1-2-3-6-18-7-8-19-13-5-4-11(10-14)9-12(13)15(16)17/h4-5,9H,2-3,6-8H2,1H3