N-[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]-1,2,3-benzothiadiazole-7-carboxamide

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]-1,2,3-benzothiadiazole-7-carboxamide Openeye Name: N-[(1E)-1-[cyano-(4-phenylphenyl)methylene]-2,2-dimethyl-propyl]-1,2,3-benzothiadiazole-7-carboxamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]-1,2,3-benzothiadiazole-7-carboxamide IUPAC Name: N-[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]-1,2,3-benzothiadiazole-7-carboxamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-(4-phenylphenyl)vinyl]-1,2,3-benzothiadiazole-7-carboxamide Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C#N)C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=C4C(=CC=C3)N=NS4

Isomeric SMILES

CC(C)(C)/C(=C(\C#N)/C1=CC=C(C=C1)C2=CC=CC=C2)/NC(=O)C3=C4C(=CC=C3)N=NS4

InChI

InChI=1S/C26H22N4OS/c1-26(2,3)24(28-25(31)20-10-7-11-22-23(20)32-30-29-22)21(16-27)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15H,1-3H3,(H,28,31)/b24-21-