4-ethyl-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-ethyl-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-ethyl-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-ethyl-3-[(5-methyl-3-nitro-1-pyrazolyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-ethyl-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-ethyl-3-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C9H12N6O2S MolecularWeight: 268.29558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NNC1=S)CN2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=NNC1=S)CN2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C9H12N6O2S/c1-3-13-8(10-11-9(13)18)5-14-6(2)4-7(12-14)15(16)17/h4H,3,5H2,1-2H3,(H,11,18)