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

Systemtic Name: 4-cyclopropyl-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-cyclopropyl-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-cyclopropyl-3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-cyclopropyl-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-cyclopropyl-3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C11H14N6O2S MolecularWeight: 294.33286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NNC(=S)N2C3CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=NNC(=S)N2C3CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C11H14N6O2S/c1-6-10(17(18)19)7(2)15(14-6)5-9-12-13-11(20)16(9)8-3-4-8/h8H,3-5H2,1-2H3,(H,13,20)