2-[(4-cyanophenyl)methylsulfanyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[(1,3-diphenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[(1,3-diphenylpyrazol-4-yl)methyl]acetamide Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CSCC3=CC=C(C=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CSCC3=CC=C(C=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4OS/c27-15-20-11-13-21(14-12-20)18-32-19-25(31)28-16-23-17-30(24-9-5-2-6-10-24)29-26(23)22-7-3-1-4-8-22/h1-14,17H,16,18-19H2,(H,28,31)