N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(trifluoromethyloxy)benzamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(trifluoromethyloxy)benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-(trifluoromethoxy)benzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-4-(trifluoromethoxy)benzamide Formula: C20H16F3N3O2S MolecularWeight: 419.42015

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC(F)(F)F)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC(F)(F)F)C

InChI

InChI=1S/C20H16F3N3O2S/c1-12-11-13(2)25-19(24-12)29-17-9-5-15(6-10-17)26-18(27)14-3-7-16(8-4-14)28-20(21,22)23/h3-11H,1-2H3,(H,26,27)