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

Systemtic Name: 2-[[5-[(5-chloranylquinolin-8-yl)oxymethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(5-chloro-8-quinolyl)oxymethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(5-chloro-8-quinolinyl)oxymethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(5-chloroquinolin-8-yl)oxymethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[(5-chloro-8-quinolyl)oxymethyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C26H19ClN4O2S MolecularWeight: 486.97266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=C5C(=C(C=C4)Cl)C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=C5C(=C(C=C4)Cl)C=CC=N5

InChI

InChI=1S/C26H19ClN4O2S/c27-21-13-14-23(25-20(21)12-7-15-28-25)33-16-24-29-30-26(31(24)19-10-5-2-6-11-19)34-17-22(32)18-8-3-1-4-9-18/h1-15H,16-17H2