2-[(4-cyanophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[2-(pyrazol-1-ylmethyl)benzyl]acetamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CSCC2=CC=C(C=C2)C#N)CN3C=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CSCC2=CC=C(C=C2)C#N)CN3C=CC=N3

InChI

InChI=1S/C21H20N4OS/c22-12-17-6-8-18(9-7-17)15-27-16-21(26)23-13-19-4-1-2-5-20(19)14-25-11-3-10-24-25/h1-11H,13-16H2,(H,23,26)