3-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-1-methyl-5-methylsulfanyl-4-nitro-pyrazole

Systemtic Name: 3-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-1-methyl-5-methylsulfanyl-4-nitro-pyrazole Openeye Name: 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methyl-5-methylsulfanyl-4-nitro-pyrazole CAS Name: 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methyl-5-(methylthio)-4-nitropyrazole IUPAC Name: 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methyl-5-methylsulfanyl-4-nitropyrazole Traditional Name: 3-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methyl-5-(methylthio)-4-nitro-pyrazole Formula: C12H8Cl2F3N3O2S MolecularWeight: 386.17703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)[N+](=O)[O-])SC

Isomeric SMILES

CN1C(=C(C(=N1)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)[N+](=O)[O-])SC

InChI

InChI=1S/C12H8Cl2F3N3O2S/c1-19-11(23-2)10(20(21)22)9(18-19)8-6(13)3-5(4-7(8)14)12(15,16)17/h3-4H,1-2H3