N-(4-cyano-2-methyl-pyrazol-3-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(4-cyano-2-methyl-3-pyrazolyl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(4-cyano-2-methylpyrazol-3-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C20H21N5OS MolecularWeight: 379.47864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=C(C=NN3C)C#N)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=C(C=NN3C)C#N)C)C

InChI

InChI=1S/C20H21N5OS/c1-11-6-13(3)18-16(7-11)12(2)8-17(23-18)27-14(4)20(26)24-19-15(9-21)10-22-25(19)5/h6-8,10,14H,1-5H3,(H,24,26)