N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(2,5-dimethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(2,5-dimethylphenyl)sulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(2,5-dimethylphenyl)sulfanyl-acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(2,5-dimethylphenyl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(2,5-dimethylphenyl)sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(2,5-dimethylphenyl)thio]acetamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C23H27N3OS/c1-16-11-12-17(2)19(13-16)28-15-22(27)24-21-14-20(23(3,4)5)25-26(21)18-9-7-6-8-10-18/h6-14H,15H2,1-5H3,(H,24,27)