2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-pyrazol-4-yl]sulfanyl-4-pyridin-3-yl-pyrimidine

Systemtic Name: 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-pyrazol-4-yl]sulfanyl-4-pyridin-3-yl-pyrimidine Openeye Name: 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-pyrazol-4-yl]sulfanyl-4-(3-pyridyl)pyrimidine CAS Name: 2-[[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-pyrazolyl]thio]-4-(3-pyridinyl)pyrimidine IUPAC Name: 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]sulfanyl-4-pyridin-3-ylpyrimidine Traditional Name: 2-[[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-pyrazol-4-yl]thio]-4-(3-pyridyl)pyrimidine Formula: C21H16F3N5O2S2 MolecularWeight: 491.50925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C)SC3=NC=CC(=N3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C)SC3=NC=CC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C21H16F3N5O2S2/c1-13-19(32-20-26-10-8-18(27-20)15-5-4-9-25-12-15)14(2)29(28-13)33(30,31)17-7-3-6-16(11-17)21(22,23)24/h3-12H,1-2H3