N-(3-iodanyl-4-methyl-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(3-iodo-4-methylphenyl)-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-(3-iodo-4-methylphenyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C14H11F3IN3OS MolecularWeight: 453.22132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CC(=N2)C(F)(F)F)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CC(=N2)C(F)(F)F)I

InChI

InChI=1S/C14H11F3IN3OS/c1-8-2-3-9(6-10(8)18)20-12(22)7-23-13-19-5-4-11(21-13)14(15,16)17/h2-6H,7H2,1H3,(H,20,22)