5-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-propan-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-propan-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-isopropyl-1,2,4-oxadiazole CAS Name: 5-[[[4-ethyl-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]methyl]-3-propan-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-propan-2-yl-1,2,4-oxadiazole Traditional Name: 5-[[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]methyl]-3-isopropyl-1,2,4-oxadiazole Formula: C25H24N6OS MolecularWeight: 456.56266

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=NO2)C(C)C)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=NO2)C(C)C)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H24N6OS/c1-4-31-24(28-29-25(31)33-15-22-27-23(16(2)3)30-32-22)19-14-21(17-10-6-5-7-11-17)26-20-13-9-8-12-18(19)20/h5-14,16H,4,15H2,1-3H3