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

Systemtic Name: 2-[[5-[(5-chloranylquinolin-8-yl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4-allyl-5-[(5-chloro-8-quinolyl)oxymethyl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(5-chloro-8-quinolinyl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(5-chloroquinolin-8-yl)oxymethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4-allyl-5-[(5-chloro-8-quinolyl)oxymethyl]-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C23H19ClN4O2S MolecularWeight: 450.94056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClN4O2S/c1-2-13-28-21(14-30-20-11-10-18(24)17-9-6-12-25-22(17)20)26-27-23(28)31-15-19(29)16-7-4-3-5-8-16/h2-12H,1,13-15H2