N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-[(4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(3-cyano-4,5-dimethyl-2-furanyl)-2-[(4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-[(4-methyl-2-quinolyl)thio]butyramide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(O1)C)C)C#N)SC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(O1)C)C)C#N)SC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C21H21N3O2S/c1-5-18(20(25)24-21-16(11-22)13(3)14(4)26-21)27-19-10-12(2)15-8-6-7-9-17(15)23-19/h6-10,18H,5H2,1-4H3,(H,24,25)