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

Systemtic Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]ethanamine Openeye Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]ethanamine CAS Name: 2-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylthio]ethanamine IUPAC Name: 2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]ethanamine Traditional Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylthio]ethylamine Formula: C8H14N4O2S MolecularWeight: 230.28736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CSCCN)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CSCCN)C)[N+](=O)[O-]

InChI

InChI=1S/C8H14N4O2S/c1-6-8(12(13)14)7(2)11(10-6)5-15-4-3-9/h3-5,9H2,1-2H3