N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-methyl-6-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-methyl-6-oxo-1-phenyl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-methyl-6-oxo-1-phenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(6-keto-4-methyl-1-phenyl-pyrimidin-2-yl)thio]acetamide Formula: C21H15F6N3O2S MolecularWeight: 487.418119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C21H15F6N3O2S/c1-12-7-18(32)30(16-5-3-2-4-6-16)19(28-12)33-11-17(31)29-15-9-13(20(22,23)24)8-14(10-15)21(25,26)27/h2-10H,11H2,1H3,(H,29,31)