N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylphenyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylphenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylphenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[4-[[(4,6-dimethoxy-2-pyrimidinyl)-phenylmethyl]thio]phenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanylphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[4-[[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]thio]phenyl]-3-(trifluoromethyl)benzamide Formula: C27H22F3N3O3S MolecularWeight: 525.54209

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)OC

InChI

InChI=1S/C27H22F3N3O3S/c1-35-22-16-23(36-2)33-25(32-22)24(17-7-4-3-5-8-17)37-21-13-11-20(12-14-21)31-26(34)18-9-6-10-19(15-18)27(28,29)30/h3-16,24H,1-2H3,(H,31,34)