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

Systemtic Name: 4-tert-butyl-N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]benzamide Openeye Name: 4-tert-butyl-N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenyl-pyrazol-3-yl]benzamide CAS Name: 4-tert-butyl-N-[5-[(2-chlorophenyl)methylthio]-4-cyano-2-phenyl-3-pyrazolyl]benzamide IUPAC Name: 4-tert-butyl-N-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-2-phenylpyrazol-3-yl]benzamide Traditional Name: 4-tert-butyl-N-[5-[(2-chlorobenzyl)thio]-4-cyano-2-phenyl-pyrazol-3-yl]benzamide Formula: C28H25ClN4OS MolecularWeight: 501.0423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4Cl)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C(=NN2C3=CC=CC=C3)SCC4=CC=CC=C4Cl)C#N

InChI

InChI=1S/C28H25ClN4OS/c1-28(2,3)21-15-13-19(14-16-21)26(34)31-25-23(17-30)27(32-33(25)22-10-5-4-6-11-22)35-18-20-9-7-8-12-24(20)29/h4-16H,18H2,1-3H3,(H,31,34)