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

Systemtic Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-8-yl-ethanamide Openeye Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(8-quinolyl)acetamide CAS Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(8-quinolinyl)acetamide IUPAC Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-8-ylacetamide Traditional Name: 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]-N-(8-quinolyl)acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-14-24-25-21(26(14)16-8-10-17(28-2)11-9-16)29-13-19(27)23-18-7-3-5-15-6-4-12-22-20(15)18/h3-12H,13H2,1-2H3,(H,23,27)