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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5OS/c1-4-29(5-2)23(31)17-32-25-28-27-24(30(25)6-3)20-16-22(18-12-8-7-9-13-18)26-21-15-11-10-14-19(20)21/h7-16H,4-6,17H2,1-3H3