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

Systemtic Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(4-cyano-2-methyl-3-pyrazolyl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(4-cyano-2-methylpyrazol-3-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(4-cyano-2-methyl-pyrazol-3-yl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]butyramide Formula: C21H23N5OS MolecularWeight: 393.50522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5OS/c1-6-17(21(27)25-20-15(10-22)11-23-26(20)5)28-18-9-13(3)16-8-12(2)7-14(4)19(16)24-18/h7-9,11,17H,6H2,1-5H3,(H,25,27)