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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC5=C4N=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC5=C4N=CC=C5)C

InChI

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