5-nitro-2-sulfanyl-benzenecarbonitrile

Systemtic Name: 5-nitro-2-sulfanyl-benzenecarbonitrile Openeye Name: 5-nitro-2-sulfanyl-benzonitrile CAS Name: 2-mercapto-5-nitrobenzonitrile IUPAC Name: 5-nitro-2-sulfanylbenzonitrile Traditional Name: 2-mercapto-5-nitro-benzonitrile Formula: C7H4N2O2S MolecularWeight: 180.18386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H4N2O2S/c8-4-5-3-6(9(10)11)1-2-7(5)12/h1-3,12H