2-[(4-cyanophenyl)methylsulfanyl]-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]benzamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]benzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(4-cyanophenyl)methylsulfanyl]benzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-2-[(4-cyanobenzyl)thio]benzamide Formula: C28H26N4OS MolecularWeight: 466.59724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H26N4OS/c1-20-26(21(2)32(31-20)18-23-8-4-3-5-9-23)17-30-28(33)25-10-6-7-11-27(25)34-19-24-14-12-22(16-29)13-15-24/h3-15H,17-19H2,1-2H3,(H,30,33)