N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-[(4,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(4,8-dimethyl-2-quinolyl)thio]acetamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NCCCN3C(=CC(=N3)C)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)NCCCN3C(=CC(=N3)C)C

InChI

InChI=1S/C21H26N4OS/c1-14-7-5-8-18-15(2)11-20(23-21(14)18)27-13-19(26)22-9-6-10-25-17(4)12-16(3)24-25/h5,7-8,11-12H,6,9-10,13H2,1-4H3,(H,22,26)