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

Systemtic Name: 2-[[5-[(5-chloranylquinolin-8-yl)oxymethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(5-chloro-8-quinolyl)oxymethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(5-chloro-8-quinolinyl)oxymethyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(5-chloroquinolin-8-yl)oxymethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[(5-chloro-8-quinolyl)oxymethyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)COC3=C4C(=C(C=C3)Cl)C=CC=N4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)COC3=C4C(=C(C=C3)Cl)C=CC=N4

InChI

InChI=1S/C22H19ClN4O2S/c1-2-27-20(13-29-19-11-10-17(23)16-9-6-12-24-21(16)19)25-26-22(27)30-14-18(28)15-7-4-3-5-8-15/h3-12H,2,13-14H2,1H3