2-(cyanomethylsulfanyl)-N-[4-methoxy-3-(phenylmethyl)phenyl]benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[4-methoxy-3-(phenylmethyl)phenyl]benzamide Openeye Name: N-(3-benzyl-4-methoxy-phenyl)-2-(cyanomethylsulfanyl)benzamide CAS Name: 2-(cyanomethylthio)-N-[4-methoxy-3-(phenylmethyl)phenyl]benzamide IUPAC Name: N-(3-benzyl-4-methoxyphenyl)-2-(cyanomethylsulfanyl)benzamide Traditional Name: N-(3-benzyl-4-methoxy-phenyl)-2-(cyanomethylthio)benzamide Formula: C23H20N2O2S MolecularWeight: 388.4821

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC#N)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2SCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O2S/c1-27-21-12-11-19(16-18(21)15-17-7-3-2-4-8-17)25-23(26)20-9-5-6-10-22(20)28-14-13-24/h2-12,16H,14-15H2,1H3,(H,25,26)