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

Systemtic Name: 3-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-isoxazole CAS Name: 3-[[[4-ethyl-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]methyl]-5-methyl-isoxazole Formula: C24H21N5OS MolecularWeight: 427.52144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NOC(=C2)C)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC2=NOC(=C2)C)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C24H21N5OS/c1-3-29-23(26-27-24(29)31-15-18-13-16(2)30-28-18)20-14-22(17-9-5-4-6-10-17)25-21-12-8-7-11-19(20)21/h4-14H,3,15H2,1-2H3