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

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-1,2,3-benzothiadiazole-7-carboxamide Openeye Name: N-[(1E)-1-[cyano(o-tolyl)methylene]-2,2-dimethyl-propyl]-1,2,3-benzothiadiazole-7-carboxamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-1,2,3-benzothiadiazole-7-carboxamide IUPAC Name: N-[(E)-1-cyano-3,3-dimethyl-1-(2-methylphenyl)but-1-en-2-yl]-1,2,3-benzothiadiazole-7-carboxamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-(o-tolyl)vinyl]-1,2,3-benzothiadiazole-7-carboxamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=C(C(C)(C)C)NC(=O)C2=C3C(=CC=C2)N=NS3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c1-13-8-5-6-9-14(13)16(12-22)19(21(2,3)4)23-20(26)15-10-7-11-17-18(15)27-25-24-17/h5-11H,1-4H3,(H,23,26)/b19-16-