2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]acetic acid CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylthio]acetic acid IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylthio]acetic acid Formula: C8H11N3O4S MolecularWeight: 245.25564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CSCC(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CSCC(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C8H11N3O4S/c1-5-8(11(14)15)6(2)10(9-5)4-16-3-7(12)13/h3-4H2,1-2H3,(H,12,13)