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

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide CAS Name: 2-[(4-cyanophenyl)methylthio]-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 2-[(4-cyanobenzyl)thio]-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide Formula: C27H24N4OS MolecularWeight: 452.57066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H24N4OS/c1-19-25(20(2)31(30-19)23-8-4-3-5-9-23)17-29-27(32)24-10-6-7-11-26(24)33-18-22-14-12-21(16-28)13-15-22/h3-15H,17-18H2,1-2H3,(H,29,32)