N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-propylsulfonyl-benzamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-propylsulfonyl-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-propylsulfonyl-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-propylsulfonylbenzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-propylsulfonylbenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-propylsulfonyl-benzamide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C20H22N2O3S2/c1-2-13-27(24,25)19-10-6-5-9-18(19)20(23)22-11-12-26-15-17-8-4-3-7-16(17)14-21/h3-10H,2,11-13,15H2,1H3,(H,22,23)