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

Systemtic Name: N-methyl-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]-N-methyl-acetamide CAS Name: N-methyl-2-[[4-(3-methylbutyl)-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-methyl-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]-N-methyl-acetamide Formula: C25H27N5OS MolecularWeight: 445.57978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5OS/c1-17(2)13-14-30-24(28-29-25(30)32-16-23(31)26-3)20-15-22(18-9-5-4-6-10-18)27-21-12-8-7-11-19(20)21/h4-12,15,17H,13-14,16H2,1-3H3,(H,26,31)