2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4,6-dimethyl-pyrimidine Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4,6-dimethyl-pyrimidine CAS Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-4,6-dimethylpyrimidine IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4,6-dimethylpyrimidine Traditional Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-4,6-dimethyl-pyrimidine Formula: C13H9F3N4O4S MolecularWeight: 374.29517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C13H9F3N4O4S/c1-6-3-7(2)18-12(17-6)25-11-9(19(21)22)4-8(13(14,15)16)5-10(11)20(23)24/h3-5H,1-2H3