2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-5-phenyl-1H-imidazole

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-5-phenyl-1H-imidazole Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-5-phenyl-1H-imidazole CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-5-phenyl-1H-imidazole IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-5-phenyl-1H-imidazole Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-5-phenyl-1H-imidazole Formula: C16H9F3N4O4S MolecularWeight: 410.32727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H9F3N4O4S/c17-16(18,19)10-6-12(22(24)25)14(13(7-10)23(26)27)28-15-20-8-11(21-15)9-4-2-1-3-5-9/h1-8H,(H,20,21)