2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-quinolin-8-yl-ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-quinolin-8-yl-ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanyl-N-(8-quinolyl)acetamide CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-N-(8-quinolinyl)acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanyl-N-quinolin-8-ylacetamide Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]-N-(8-quinolyl)acetamide Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NC3=CC=CC4=C3N=CC=C4

InChI

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