2-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]pyrimidin-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[4-[5-[1-methyl-5-(trifluoromethyl)-3-pyrazolyl]-2-thiophenyl]-2-pyrimidinyl]thio]-1-phenylethanone IUPAC Name: 2-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]pyrimidin-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]pyrimidin-2-yl]thio]-1-phenyl-ethanone Formula: C21H15F3N4OS2 MolecularWeight: 460.49521

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=C(S2)C3=NC(=NC=C3)SCC(=O)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=C(S2)C3=NC(=NC=C3)SCC(=O)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H15F3N4OS2/c1-28-19(21(22,23)24)11-15(27-28)18-8-7-17(31-18)14-9-10-25-20(26-14)30-12-16(29)13-5-3-2-4-6-13/h2-11H,12H2,1H3