2-methylsulfanyl-3-nitro-benzenecarbonitrile

Systemtic Name: 2-methylsulfanyl-3-nitro-benzenecarbonitrile Openeye Name: 2-methylsulfanyl-3-nitro-benzonitrile CAS Name: 2-(methylthio)-3-nitrobenzonitrile IUPAC Name: 2-methylsulfanyl-3-nitrobenzonitrile Traditional Name: 2-(methylthio)-3-nitro-benzonitrile Formula: C8H6N2O2S MolecularWeight: 194.21044

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=C1[N+](=O)[O-])C#N

Isomeric SMILES

CSC1=C(C=CC=C1[N+](=O)[O-])C#N

InChI

InChI=1S/C8H6N2O2S/c1-13-8-6(5-9)3-2-4-7(8)10(11)12/h2-4H,1H3