N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C21H15F6N3OS MolecularWeight: 471.418719

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H15F6N3OS/c1-12-7-17(13-5-3-2-4-6-13)30-19(28-12)32-11-18(31)29-16-9-14(20(22,23)24)8-15(10-16)21(25,26)27/h2-10H,11H2,1H3,(H,29,31)