N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]-1,2,3-benzothiadiazole-7-carboxamide

Systemtic Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]-1,2,3-benzothiadiazole-7-carboxamide Openeye Name: N-[(1E)-1-[cyano-(3,5-dimethylphenyl)methylene]-2,2-dimethyl-propyl]-1,2,3-benzothiadiazole-7-carboxamide CAS Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]-1,2,3-benzothiadiazole-7-carboxamide IUPAC Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]-1,2,3-benzothiadiazole-7-carboxamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-(3,5-dimethylphenyl)vinyl]-1,2,3-benzothiadiazole-7-carboxamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=C(C(C)(C)C)NC(=O)C2=C3C(=CC=C2)N=NS3)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)/C(=C(/C(C)(C)C)\NC(=O)C2=C3C(=CC=C2)N=NS3)/C#N)C

InChI

InChI=1S/C22H22N4OS/c1-13-9-14(2)11-15(10-13)17(12-23)20(22(3,4)5)24-21(27)16-7-6-8-18-19(16)28-26-25-18/h6-11H,1-5H3,(H,24,27)/b20-17-