3-nitro-4-sulfanyl-benzenecarbonitrile

Systemtic Name: 3-nitro-4-sulfanyl-benzenecarbonitrile Openeye Name: 3-nitro-4-sulfanyl-benzonitrile CAS Name: 4-mercapto-3-nitrobenzonitrile IUPAC Name: 3-nitro-4-sulfanylbenzonitrile Traditional Name: 4-mercapto-3-nitro-benzonitrile Formula: C7H4N2O2S MolecularWeight: 180.18386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])S

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])S

InChI

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