2-(cyanomethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide CAS Name: 2-(cyanomethylthio)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide Traditional Name: 2-(cyanomethylthio)-N-(2,4,5-trimethoxybenzyl)benzamide Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C2=CC=CC=C2SCC#N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C2=CC=CC=C2SCC#N)OC)OC

InChI

InChI=1S/C19H20N2O4S/c1-23-15-11-17(25-3)16(24-2)10-13(15)12-21-19(22)14-6-4-5-7-18(14)26-9-8-20/h4-7,10-11H,9,12H2,1-3H3,(H,21,22)