2-[(4-nitropyrazol-1-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(4-nitropyrazol-1-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4-nitropyrazol-1-yl)methylsulfanyl]acetic acid CAS Name: 2-[(4-nitro-1-pyrazolyl)methylthio]acetic acid IUPAC Name: 2-[(4-nitropyrazol-1-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-nitropyrazol-1-yl)methylthio]acetic acid Formula: C6H7N3O4S MolecularWeight: 217.20248

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CSCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=NN1CSCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C6H7N3O4S/c10-6(11)3-14-4-8-2-5(1-7-8)9(12)13/h1-2H,3-4H2,(H,10,11)