2-[(4-cyanophenyl)methylsulfanyl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CCNC(=O)CSCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CCNC(=O)CSCC3=CC=C(C=C3)C#N

InChI

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