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

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C23H22N4OS/c1-15-13-22(24-20-12-8-7-11-19(15)20)29-14-21(28)25-23-16(2)26-27(17(23)3)18-9-5-4-6-10-18/h4-13H,14H2,1-3H3,(H,25,28)