N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(5-tert-butyl-2-phenyl-3-pyrazolyl)-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-phenylpyrazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=CC(=NN3C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C25H26N4OS/c1-17-14-24(26-20-13-9-8-12-19(17)20)31-16-23(30)27-22-15-21(25(2,3)4)28-29(22)18-10-6-5-7-11-18/h5-15H,16H2,1-4H3,(H,27,30)