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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(F)(F)F

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(F)(F)F

InChI

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