4,6-dimethyl-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-pyrimidine

Systemtic Name: 4,6-dimethyl-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-pyrimidine Openeye Name: 4,6-dimethyl-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-pyrimidine CAS Name: 4,6-dimethyl-2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]pyrimidine IUPAC Name: 4,6-dimethyl-2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylpyrimidine Traditional Name: 4,6-dimethyl-2-[(2-nitro-4-triflyl-phenyl)thio]pyrimidine Formula: C13H10F3N3O4S2 MolecularWeight: 393.36141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F3N3O4S2/c1-7-5-8(2)18-12(17-7)24-11-4-3-9(6-10(11)19(20)21)25(22,23)13(14,15)16/h3-6H,1-2H3