2-[(4-chloranyl-3-nitro-pyrazol-1-yl)methylsulfanyl]ethanamine

Systemtic Name: 2-[(4-chloranyl-3-nitro-pyrazol-1-yl)methylsulfanyl]ethanamine Openeye Name: 2-[(4-chloro-3-nitro-pyrazol-1-yl)methylsulfanyl]ethanamine CAS Name: 2-[(4-chloro-3-nitro-1-pyrazolyl)methylthio]ethanamine IUPAC Name: 2-[(4-chloro-3-nitropyrazol-1-yl)methylsulfanyl]ethanamine Traditional Name: 2-[(4-chloro-3-nitro-pyrazol-1-yl)methylthio]ethylamine Formula: C6H9ClN4O2S MolecularWeight: 236.67926

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=NN1CSCCN)[N+](=O)[O-])Cl

Isomeric SMILES

C1=C(C(=NN1CSCCN)[N+](=O)[O-])Cl

InChI

InChI=1S/C6H9ClN4O2S/c7-5-3-10(4-14-2-1-8)9-6(5)11(12)13/h3H,1-2,4,8H2