N-[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]-2-methoxy-4-methylsulfanyl-benzamide

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]-2-methoxy-4-methylsulfanyl-benzamide Openeye Name: N-[(1E)-1-[cyano-(4-phenylphenyl)methylene]-2,2-dimethyl-propyl]-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]-2-methoxy-4-(methylthio)benzamide IUPAC Name: N-[(E)-1-cyano-3,3-dimethyl-1-(4-phenylphenyl)but-1-en-2-yl]-2-methoxy-4-methylsulfanylbenzamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-(4-phenylphenyl)vinyl]-2-methoxy-4-(methylthio)benzamide Formula: C28H28N2O2S MolecularWeight: 456.59912

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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=C(C=C(C=C3)SC)OC

Isomeric SMILES

CC(C)(C)/C(=C(\C#N)/C1=CC=C(C=C1)C2=CC=CC=C2)/NC(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C28H28N2O2S/c1-28(2,3)26(30-27(31)23-16-15-22(33-5)17-25(23)32-4)24(18-29)21-13-11-20(12-14-21)19-9-7-6-8-10-19/h6-17H,1-5H3,(H,30,31)/b26-24-