N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,4,5-trimethoxy-benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,4,5-trimethoxy-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,4,5-trimethoxy-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2,4,5-trimethoxybenzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2,4,5-trimethoxybenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2,4,5-trimethoxy-benzamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NCCSCC2=CC=CC=C2C#N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NCCSCC2=CC=CC=C2C#N)OC)OC

InChI

InChI=1S/C20H22N2O4S/c1-24-17-11-19(26-3)18(25-2)10-16(17)20(23)22-8-9-27-13-15-7-5-4-6-14(15)12-21/h4-7,10-11H,8-9,13H2,1-3H3,(H,22,23)