N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4,7,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-(4,7,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(4,7,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(4,7,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4,7,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[(4,7,8-trimethyl-2-quinolyl)thio]acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=N2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=N2)SCC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C)C

InChI

InChI=1S/C25H26N4O2S/c1-15-11-12-20-16(2)13-22(27-23(20)17(15)3)32-14-21(30)26-24-18(4)28(5)29(25(24)31)19-9-7-6-8-10-19/h6-13H,14H2,1-5H3,(H,26,30)