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

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=C(C=NN3C4=CC=CC=C4)C#N)C)C

InChI

InChI=1S/C25H23N5OS/c1-15-10-17(3)23-21(11-15)16(2)12-22(28-23)32-18(4)25(31)29-24-19(13-26)14-27-30(24)20-8-6-5-7-9-20/h5-12,14,18H,1-4H3,(H,29,31)