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

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-imidazo[4,5-b]pyrazine Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-imidazo[4,5-b]pyrazine CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1H-imidazo[4,5-b]pyrazine IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-1H-imidazo[4,5-b]pyrazine Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1H-imidazo[4,5-b]pyrazine Formula: C12H5F3N6O4S MolecularWeight: 386.26611

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C2C(=N1)NC(=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C2C(=N1)NC(=N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H5F3N6O4S/c13-12(14,15)5-3-6(20(22)23)8(7(4-5)21(24)25)26-11-18-9-10(19-11)17-2-1-16-9/h1-4H,(H,16,17,18,19)