2-ethyl-1-[4-nitro-2-(trichloromethylsulfanyl)phenyl]imidazole

Systemtic Name: 2-ethyl-1-[4-nitro-2-(trichloromethylsulfanyl)phenyl]imidazole Openeye Name: 2-ethyl-1-[4-nitro-2-(trichloromethylsulfanyl)phenyl]imidazole CAS Name: 2-ethyl-1-[4-nitro-2-(trichloromethylthio)phenyl]imidazole IUPAC Name: 2-ethyl-1-[4-nitro-2-(trichloromethylsulfanyl)phenyl]imidazole Traditional Name: 2-ethyl-1-[4-nitro-2-(trichloromethylthio)phenyl]imidazole Formula: C12H10Cl3N3O2S MolecularWeight: 366.6507

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC(Cl)(Cl)Cl

Isomeric SMILES

CCC1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC(Cl)(Cl)Cl

InChI

InChI=1S/C12H10Cl3N3O2S/c1-2-11-16-5-6-17(11)9-4-3-8(18(19)20)7-10(9)21-12(13,14)15/h3-7H,2H2,1H3