2-nitro-3-oxidanylidene-5-sulfanyl-1H-pyrazole-4-carbonitrile

Systemtic Name: 2-nitro-3-oxidanylidene-5-sulfanyl-1H-pyrazole-4-carbonitrile Openeye Name: 2-nitro-3-oxo-5-sulfanyl-1H-pyrazole-4-carbonitrile CAS Name: 5-mercapto-2-nitro-3-oxo-1H-pyrazole-4-carbonitrile IUPAC Name: 2-nitro-3-oxo-5-sulfanyl-1H-pyrazole-4-carbonitrile Traditional Name: 5-keto-3-mercapto-1-nitro-3-pyrazoline-4-carbonitrile Formula: C4H2N4O3S MolecularWeight: 186.14868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H2N4O3S/c5-1-2-3(12)6-7(4(2)9)8(10)11/h6,12H