N-(3-cyano-4,5-diphenyl-furan-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(3-cyano-4,5-diphenyl-furan-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(3-cyano-4,5-diphenyl-2-furyl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(3-cyano-4,5-diphenyl-2-furanyl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(3-cyano-4,5-diphenylfuran-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(3-cyano-4,5-diphenyl-2-furyl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]butyramide Formula: C33H29N3O2S MolecularWeight: 531.66726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)C#N)SC4=NC5=C(C=C(C=C5C(=C4)C)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)C#N)SC4=NC5=C(C=C(C=C5C(=C4)C)C)C

InChI

InChI=1S/C33H29N3O2S/c1-5-27(39-28-18-21(3)25-17-20(2)16-22(4)30(25)35-28)32(37)36-33-26(19-34)29(23-12-8-6-9-13-23)31(38-33)24-14-10-7-11-15-24/h6-18,27H,5H2,1-4H3,(H,36,37)