4-tert-butyl-N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]benzamide Openeye Name: 4-tert-butyl-N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]benzamide CAS Name: 4-tert-butyl-N-[3-[(2-chlorophenyl)methylthio]-4-cyano-1H-pyrazol-5-yl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1H-pyrazol-5-yl]benzamide Traditional Name: 4-tert-butyl-N-[3-[(2-chlorobenzyl)thio]-4-cyano-1H-pyrazol-5-yl]benzamide Formula: C22H21ClN4OS MolecularWeight: 424.94634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3Cl)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3Cl)C#N

InChI

InChI=1S/C22H21ClN4OS/c1-22(2,3)16-10-8-14(9-11-16)20(28)25-19-17(12-24)21(27-26-19)29-13-15-6-4-5-7-18(15)23/h4-11H,13H2,1-3H3,(H2,25,26,27,28)