2-[[4-methyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-methyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-methyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-methyl-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-methyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-methyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C21H18N4O2S MolecularWeight: 390.45822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)COC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)COC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-25-19(13-27-18-11-5-9-16-10-6-12-22-20(16)18)23-24-21(25)28-14-17(26)15-7-3-2-4-8-15/h2-12H,13-14H2,1H3