1-ethyl-2-methyl-4-nitro-5-[3-(trifluoromethyl)phenyl]sulfanyl-imidazole

Systemtic Name: 1-ethyl-2-methyl-4-nitro-5-[3-(trifluoromethyl)phenyl]sulfanyl-imidazole Openeye Name: 1-ethyl-2-methyl-4-nitro-5-[3-(trifluoromethyl)phenyl]sulfanyl-imidazole CAS Name: 1-ethyl-2-methyl-4-nitro-5-[[3-(trifluoromethyl)phenyl]thio]imidazole IUPAC Name: 1-ethyl-2-methyl-4-nitro-5-[3-(trifluoromethyl)phenyl]sulfanylimidazole Traditional Name: 1-ethyl-2-methyl-4-nitro-5-[[3-(trifluoromethyl)phenyl]thio]imidazole Formula: C13H12F3N3O2S MolecularWeight: 331.31349

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC(=C1SC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=NC(=C1SC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C13H12F3N3O2S/c1-3-18-8(2)17-11(19(20)21)12(18)22-10-6-4-5-9(7-10)13(14,15)16/h4-7H,3H2,1-2H3