N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[(4-cyanophenyl)methylsulfonyl]ethanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[(4-cyanophenyl)methylsulfonyl]ethanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide CAS Name: 2-[(4-cyanophenyl)methylsulfonyl]-N-[2-[(2-cyanophenyl)methylthio]ethyl]acetamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[(4-cyanophenyl)methylsulfonyl]acetamide Traditional Name: 2-(4-cyanobenzyl)sulfonyl-N-[2-[(2-cyanobenzyl)thio]ethyl]acetamide Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CS(=O)(=O)CC2=CC=C(C=C2)C#N)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CS(=O)(=O)CC2=CC=C(C=C2)C#N)C#N

InChI

InChI=1S/C20H19N3O3S2/c21-11-16-5-7-17(8-6-16)14-28(25,26)15-20(24)23-9-10-27-13-19-4-2-1-3-18(19)12-22/h1-8H,9-10,13-15H2,(H,23,24)