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

Systemtic Name: 3-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-isopentyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-(3-methylbutyl)-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[4-(3-methylbutyl)-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-isoamyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NN=C1SCCC(=O)N)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=NN=C1SCCC(=O)N)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5OS/c1-17(2)12-14-30-24(28-29-25(30)32-15-13-23(26)31)20-16-22(18-8-4-3-5-9-18)27-21-11-7-6-10-19(20)21/h3-11,16-17H,12-15H2,1-2H3,(H2,26,31)