1-[[4-phenyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[4-phenyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-phenyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-phenyl-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-phenyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-phenyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C26H20N4OS MolecularWeight: 436.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H20N4OS/c1-18(31)17-32-26-29-28-25(30(26)20-12-6-3-7-13-20)22-16-24(19-10-4-2-5-11-19)27-23-15-9-8-14-21(22)23/h2-16H,17H2,1H3