N-(4-iodanyl-2-methyl-phenyl)-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-(4-iodo-2-methylphenyl)-3-[[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-(4-iodo-2-methylphenyl)-3-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]methyl]benzamide Formula: C21H17F3IN3OS MolecularWeight: 543.34386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)I)C)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NC3=C(C=C(C=C3)I)C)C(F)(F)F

InChI

InChI=1S/C21H17F3IN3OS/c1-12-8-16(25)6-7-17(12)27-19(29)15-5-3-4-14(10-15)11-30-20-26-13(2)9-18(28-20)21(22,23)24/h3-10H,11H2,1-2H3,(H,27,29)