N-(3-cyano-4,5-dimethyl-furan-2-yl)-3-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-furan-2-yl)-3-(4,8-dimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-furyl)-3-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(3-cyano-4,5-dimethyl-2-furanyl)-3-[(4,8-dimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5-dimethylfuran-2-yl)-3-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-furyl)-3-[(4,8-dimethyl-2-quinolyl)thio]propionamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=C(C(=C(O3)C)C)C#N

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=C(C(=C(O3)C)C)C#N

InChI

InChI=1S/C21H21N3O2S/c1-12-6-5-7-16-13(2)10-19(24-20(12)16)27-9-8-18(25)23-21-17(11-22)14(3)15(4)26-21/h5-7,10H,8-9H2,1-4H3,(H,23,25)