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

Systemtic Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(4-cyano-2-methyl-3-pyrazolyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(4-cyano-2-methylpyrazol-3-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-[(4,8-dimethyl-2-quinolyl)thio]butyramide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=NN1C)C#N)SC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=NN1C)C#N)SC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C20H21N5OS/c1-5-16(20(26)24-19-14(10-21)11-22-25(19)4)27-17-9-13(3)15-8-6-7-12(2)18(15)23-17/h6-9,11,16H,5H2,1-4H3,(H,24,26)