3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Openeye Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine Traditional Name: [3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylthio]-5-(trifluoromethyl)-1,2,4-triazol-4-yl]amine Formula: C9H10F3N7O2S MolecularWeight: 337.28161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CSC2=NN=C(N2N)C(F)(F)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CSC2=NN=C(N2N)C(F)(F)F)C)[N+](=O)[O-]

InChI

InChI=1S/C9H10F3N7O2S/c1-4-6(19(20)21)5(2)17(16-4)3-22-8-15-14-7(18(8)13)9(10,11)12/h3,13H2,1-2H3