N-[2-tert-butyl-4-(4-methyl-4-oxidanyl-pentyl)-1,2-thiazol-5-ylidene]-2-methoxy-5-(trifluoromethyl)benzamide

Systemtic Name: N-[2-tert-butyl-4-(4-methyl-4-oxidanyl-pentyl)-1,2-thiazol-5-ylidene]-2-methoxy-5-(trifluoromethyl)benzamide Openeye Name: N-[2-tert-butyl-4-(4-hydroxy-4-methyl-pentyl)isothiazol-5-ylidene]-2-methoxy-5-(trifluoromethyl)benzamide CAS Name: N-[2-tert-butyl-4-(4-hydroxy-4-methylpentyl)-5-isothiazolylidene]-2-methoxy-5-(trifluoromethyl)benzamide IUPAC Name: N-[2-tert-butyl-4-(4-hydroxy-4-methylpentyl)-1,2-thiazol-5-ylidene]-2-methoxy-5-(trifluoromethyl)benzamide Traditional Name: N-[2-tert-butyl-4-(4-hydroxy-4-methyl-pentyl)-3-isothiazolin-5-ylidene]-2-methoxy-5-(trifluoromethyl)benzamide Formula: C22H29F3N2O3S MolecularWeight: 458.53747

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=NC(=O)C2=C(C=CC(=C2)C(F)(F)F)OC)S1)CCCC(C)(C)O

Isomeric SMILES

CC(C)(C)N1C=C(C(=NC(=O)C2=C(C=CC(=C2)C(F)(F)F)OC)S1)CCCC(C)(C)O

InChI

InChI=1S/C22H29F3N2O3S/c1-20(2,3)27-13-14(8-7-11-21(4,5)29)19(31-27)26-18(28)16-12-15(22(23,24)25)9-10-17(16)30-6/h9-10,12-13,29H,7-8,11H2,1-6H3