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

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-[4-(phenylmethyl)phenyl]but-1-en-2-yl]-2-methoxy-4-methylsulfanyl-benzamide Openeye Name: N-[(1E)-1-[(4-benzylphenyl)-cyano-methylene]-2,2-dimethyl-propyl]-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-[4-(phenylmethyl)phenyl]but-1-en-2-yl]-2-methoxy-4-(methylthio)benzamide IUPAC Name: N-[(E)-1-(4-benzylphenyl)-1-cyano-3,3-dimethylbut-1-en-2-yl]-2-methoxy-4-methylsulfanylbenzamide Traditional Name: N-[(E)-2-(4-benzylphenyl)-1-tert-butyl-2-cyano-vinyl]-2-methoxy-4-(methylthio)benzamide Formula: C29H30N2O2S MolecularWeight: 470.6257

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C#N)C1=CC=C(C=C1)CC2=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)CC2=CC=CC=C2)/NC(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C29H30N2O2S/c1-29(2,3)27(31-28(32)24-16-15-23(34-5)18-26(24)33-4)25(19-30)22-13-11-21(12-14-22)17-20-9-7-6-8-10-20/h6-16,18H,17H2,1-5H3,(H,31,32)/b27-25-