2-[[4-methyl-5-[(2-methylquinolin-8-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4-methyl-5-[(2-methylquinolin-8-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-methyl-5-[(2-methyl-8-quinolyl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4-methyl-5-[(2-methyl-8-quinolinyl)oxymethyl]-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4-methyl-5-[(2-methylquinolin-8-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-methyl-5-[(2-methyl-8-quinolyl)oxymethyl]-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=NN=C(N3C)SCC(=O)C4=CC=CC=C4)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=NN=C(N3C)SCC(=O)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C22H20N4O2S/c1-15-11-12-17-9-6-10-19(21(17)23-15)28-13-20-24-25-22(26(20)2)29-14-18(27)16-7-4-3-5-8-16/h3-12H,13-14H2,1-2H3