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

Systemtic Name: 2-[[4-ethyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Openeye Name: 2-[[4-ethyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone CAS Name: 2-[[4-ethyl-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylphenyl)ethanone IUPAC Name: 2-[[4-ethyl-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylphenyl)ethanone Traditional Name: 2-[[4-ethyl-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]-1-(4-phenylphenyl)ethanone Formula: C28H24N4O2S MolecularWeight: 480.58076

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)COC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3)COC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C28H24N4O2S/c1-2-32-26(18-34-25-12-6-10-23-11-7-17-29-27(23)25)30-31-28(32)35-19-24(33)22-15-13-21(14-16-22)20-8-4-3-5-9-20/h3-17H,2,18-19H2,1H3