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

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-methylsulfonyl-benzamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-methylsulfonyl-benzamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-methylsulfonylbenzamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-4-methylsulfonylbenzamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-4-mesyl-benzamide Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C18H18N2O3S2/c1-25(22,23)17-8-6-14(7-9-17)18(21)20-10-11-24-13-16-5-3-2-4-15(16)12-19/h2-9H,10-11,13H2,1H3,(H,20,21)