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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CC2=CC=C(C=C2)N3C=CC=N3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CC2=CC=C(C=C2)N3C=CC=N3)C#N

InChI

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