4-(2-chloranyl-4-nitro-phenyl)-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(2-chloranyl-4-nitro-phenyl)-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(2-chloro-4-nitro-phenyl)-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-chloro-4-nitrophenyl)-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2-chloro-4-nitrophenyl)-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(2-chloro-4-nitro-phenyl)-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione Formula: C10H6ClF3N4O2S MolecularWeight: 338.69345

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(C(=N1)C(F)(F)F)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN1C(=S)N(C(=N1)C(F)(F)F)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C10H6ClF3N4O2S/c1-16-9(21)17(8(15-16)10(12,13)14)7-3-2-5(18(19)20)4-6(7)11/h2-4H,1H3