2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylethanol

Systemtic Name: 2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylethanol Openeye Name: 2-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylethanol CAS Name: 2-[(2,5-dimethyl-4-nitro-3-pyrazolyl)thio]ethanol IUPAC Name: 2-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylethanol Traditional Name: 2-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)thio]ethanol Formula: C7H11N3O3S MolecularWeight: 217.24554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])SCCO)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])SCCO)C

InChI

InChI=1S/C7H11N3O3S/c1-5-6(10(12)13)7(9(2)8-5)14-4-3-11/h11H,3-4H2,1-2H3