N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-2-[(4,8-dimethyl-2-quinolyl)thio]butyramide Formula: C25H23N5OS MolecularWeight: 441.54802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)SC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C2=CC=CC=C2)C#N)SC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C25H23N5OS/c1-4-21(32-22-13-17(3)20-12-8-9-16(2)23(20)28-22)25(31)29-24-18(14-26)15-27-30(24)19-10-6-5-7-11-19/h5-13,15,21H,4H2,1-3H3,(H,29,31)