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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NN=C(N1CC)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCCNC(=O)C(C)SC1=NN=C(N1CC)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H27N5OS/c1-4-15-26-24(31)17(3)32-25-29-28-23(30(25)5-2)20-16-22(18-11-7-6-8-12-18)27-21-14-10-9-13-19(20)21/h6-14,16-17H,4-5,15H2,1-3H3,(H,26,31)