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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-(4-methoxyphenyl)-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)COC4=CC=CC5=C4N=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)COC4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C27H22N4O3S/c1-33-22-14-12-21(13-15-22)31-25(17-34-24-11-5-9-20-10-6-16-28-26(20)24)29-30-27(31)35-18-23(32)19-7-3-2-4-8-19/h2-16H,17-18H2,1H3