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

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C22H20N4OS MolecularWeight: 388.4854

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4OS/c1-15-12-22(23-19-11-7-6-10-18(15)19)28-14-21(27)24-20-13-16(2)25-26(20)17-8-4-3-5-9-17/h3-13H,14H2,1-2H3,(H,24,27)