(1-methyl-5-nitro-pyrazol-4-yl)methanethiol

Systemtic Name: (1-methyl-5-nitro-pyrazol-4-yl)methanethiol Openeye Name: (1-methyl-5-nitro-pyrazol-4-yl)methanethiol CAS Name: (1-methyl-5-nitro-4-pyrazolyl)methanethiol IUPAC Name: (1-methyl-5-nitropyrazol-4-yl)methanethiol Traditional Name: (1-methyl-5-nitro-pyrazol-4-yl)methanethiol Formula: C5H7N3O2S MolecularWeight: 173.19298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)CS)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)CS)[N+](=O)[O-]

InChI

InChI=1S/C5H7N3O2S/c1-7-5(8(9)10)4(3-11)2-6-7/h2,11H,3H2,1H3