8-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylquinoline

Systemtic Name: 8-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylquinoline Openeye Name: 8-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylquinoline CAS Name: 8-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]quinoline IUPAC Name: 8-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanylquinoline Traditional Name: 8-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]quinoline Formula: C16H8F3N3O4S MolecularWeight: 395.31263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C16H8F3N3O4S/c17-16(18,19)10-7-11(21(23)24)15(12(8-10)22(25)26)27-13-5-1-3-9-4-2-6-20-14(9)13/h1-8H