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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-5-(8-quinolinyloxymethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(8-quinolyloxymethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)COC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)COC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H19N5O3S/c1-28-16-9-7-15(8-10-16)26-19(24-25-21(26)30-13-18(22)27)12-29-17-6-2-4-14-5-3-11-23-20(14)17/h2-11H,12-13H2,1H3,(H2,22,27)