2-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-isopentyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(3-methylbutyl)-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-isoamyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H25N5OS MolecularWeight: 431.5532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SCC(=O)N)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCC(=O)N)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5OS/c1-16(2)12-13-29-23(27-28-24(29)31-15-22(25)30)19-14-21(17-8-4-3-5-9-17)26-20-11-7-6-10-18(19)20/h3-11,14,16H,12-13,15H2,1-2H3,(H2,25,30)