N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-4-fluoro-benzamide CAS Name: N-[2-[[4-tert-butyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]-4-fluorobenzamide IUPAC Name: N-[2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethyl]-4-fluorobenzamide Traditional Name: N-[2-[[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethyl]-4-fluoro-benzamide Formula: C18H19F4N3OS MolecularWeight: 401.421573

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)SCCNC(=O)C2=CC=C(C=C2)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)SCCNC(=O)C2=CC=C(C=C2)F)C(F)(F)F

InChI

InChI=1S/C18H19F4N3OS/c1-17(2,3)13-10-14(18(20,21)22)25-16(24-13)27-9-8-23-15(26)11-4-6-12(19)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,23,26)