4-(3-methylsulfanylpropylamino)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(3-methylsulfanylpropylamino)-3-nitro-benzenecarbonitrile Openeye Name: 4-(3-methylsulfanylpropylamino)-3-nitro-benzonitrile CAS Name: 4-[3-(methylthio)propylamino]-3-nitrobenzonitrile IUPAC Name: 4-(3-methylsulfanylpropylamino)-3-nitrobenzonitrile Traditional Name: 4-[3-(methylthio)propylamino]-3-nitro-benzonitrile Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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