4-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-pyrimidine

Systemtic Name: 4-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-pyrimidine Openeye Name: 4-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-pyrimidine CAS Name: 4-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]pyrimidine IUPAC Name: 4-methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylpyrimidine Traditional Name: 4-methyl-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]pyrimidine Formula: C12H8F3N3O2S MolecularWeight: 315.27103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H8F3N3O2S/c1-7-4-5-16-11(17-7)21-10-3-2-8(12(13,14)15)6-9(10)18(19)20/h2-6H,1H3