N-[2-tert-butyl-4-(3-cyano-3-methyl-butyl)-1,2-thiazol-5-ylidene]-5-chloranyl-2-methoxy-benzamide

Systemtic Name: N-[2-tert-butyl-4-(3-cyano-3-methyl-butyl)-1,2-thiazol-5-ylidene]-5-chloranyl-2-methoxy-benzamide Openeye Name: N-[2-tert-butyl-4-(3-cyano-3-methyl-butyl)isothiazol-5-ylidene]-5-chloro-2-methoxy-benzamide CAS Name: N-[2-tert-butyl-4-(3-cyano-3-methylbutyl)-5-isothiazolylidene]-5-chloro-2-methoxybenzamide IUPAC Name: N-[2-tert-butyl-4-(3-cyano-3-methylbutyl)-1,2-thiazol-5-ylidene]-5-chloro-2-methoxybenzamide Traditional Name: N-[2-tert-butyl-4-(3-cyano-3-methyl-butyl)-3-isothiazolin-5-ylidene]-5-chloro-2-methoxy-benzamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=NC(=O)C2=C(C=CC(=C2)Cl)OC)S1)CCC(C)(C)C#N

Isomeric SMILES

CC(C)(C)N1C=C(C(=NC(=O)C2=C(C=CC(=C2)Cl)OC)S1)CCC(C)(C)C#N

InChI

InChI=1S/C21H26ClN3O2S/c1-20(2,3)25-12-14(9-10-21(4,5)13-23)19(28-25)24-18(26)16-11-15(22)7-8-17(16)27-6/h7-8,11-12H,9-10H2,1-6H3