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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N-methyl-2-[(4-methyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-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)N(C)CC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N(C)CC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

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