2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C26H33N3O2S MolecularWeight: 451.62412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSCC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(C)(C)C

InChI

InChI=1S/C26H33N3O2S/c1-17-13-20(26(4,5)6)14-18(2)22(17)15-32-16-23(30)27-24-19(3)28(7)29(25(24)31)21-11-9-8-10-12-21/h8-14H,15-16H2,1-7H3,(H,27,30)