N-[2-tert-butyl-4-(3-cyanopropyl)-1,2-thiazol-5-ylidene]-2-methoxy-5-(trifluoromethyl)benzamide

Systemtic Name: N-[2-tert-butyl-4-(3-cyanopropyl)-1,2-thiazol-5-ylidene]-2-methoxy-5-(trifluoromethyl)benzamide Openeye Name: N-[2-tert-butyl-4-(3-cyanopropyl)isothiazol-5-ylidene]-2-methoxy-5-(trifluoromethyl)benzamide CAS Name: N-[2-tert-butyl-4-(3-cyanopropyl)-5-isothiazolylidene]-2-methoxy-5-(trifluoromethyl)benzamide IUPAC Name: N-[2-tert-butyl-4-(3-cyanopropyl)-1,2-thiazol-5-ylidene]-2-methoxy-5-(trifluoromethyl)benzamide Traditional Name: N-[2-tert-butyl-4-(3-cyanopropyl)-3-isothiazolin-5-ylidene]-2-methoxy-5-(trifluoromethyl)benzamide Formula: C20H22F3N3O2S MolecularWeight: 425.46779

Click to see the large picture

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#N

Isomeric SMILES

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

InChI

InChI=1S/C20H22F3N3O2S/c1-19(2,3)26-12-13(7-5-6-10-24)18(29-26)25-17(27)15-11-14(20(21,22)23)8-9-16(15)28-4/h8-9,11-12H,5-7H2,1-4H3