4-chloranyl-1-methyl-5-methylsulfanyl-3-[3-nitro-4-(trifluoromethyl)phenoxy]pyrazole

Systemtic Name: 4-chloranyl-1-methyl-5-methylsulfanyl-3-[3-nitro-4-(trifluoromethyl)phenoxy]pyrazole Openeye Name: 4-chloro-1-methyl-5-methylsulfanyl-3-[3-nitro-4-(trifluoromethyl)phenoxy]pyrazole CAS Name: 4-chloro-1-methyl-5-(methylthio)-3-[3-nitro-4-(trifluoromethyl)phenoxy]pyrazole IUPAC Name: 4-chloro-1-methyl-5-methylsulfanyl-3-[3-nitro-4-(trifluoromethyl)phenoxy]pyrazole Traditional Name: 4-chloro-1-methyl-5-(methylthio)-3-[3-nitro-4-(trifluoromethyl)phenoxy]pyrazole Formula: C12H9ClF3N3O3S MolecularWeight: 367.73137

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)OC2=CC(=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl)SC

Isomeric SMILES

CN1C(=C(C(=N1)OC2=CC(=C(C=C2)C(F)(F)F)[N+](=O)[O-])Cl)SC

InChI

InChI=1S/C12H9ClF3N3O3S/c1-18-11(23-2)9(13)10(17-18)22-6-3-4-7(12(14,15)16)8(5-6)19(20)21/h3-5H,1-2H3