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

Systemtic Name: 4-cyclopropyl-3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-cyclopropyl-3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-cyclopropyl-3-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-cyclopropyl-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-cyclopropyl-3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Formula: C12H16N6O2S MolecularWeight: 308.35944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC2=NNC(=S)N2C3CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC2=NNC(=S)N2C3CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N6O2S/c1-7-11(18(19)20)8(2)16(15-7)6-5-10-13-14-12(21)17(10)9-3-4-9/h9H,3-6H2,1-2H3,(H,14,21)