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

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)-3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-chloro-4-fluoro-phenyl)-3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3-chloro-4-fluorophenyl)-3-[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-chloro-4-fluorophenyl)-3-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-chloro-4-fluoro-phenyl)-3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-1H-1,2,4-triazole-5-thione Formula: C15H14ClFN6O2S MolecularWeight: 396.827063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC2=NNC(=S)N2C3=CC(=C(C=C3)F)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC2=NNC(=S)N2C3=CC(=C(C=C3)F)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C15H14ClFN6O2S/c1-8-14(23(24)25)9(2)21(20-8)6-5-13-18-19-15(26)22(13)10-3-4-12(17)11(16)7-10/h3-4,7H,5-6H2,1-2H3,(H,19,26)