ethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenyl-quinoline-3-carboxylate CAS Name: 2-[[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-phenyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-phenyl-quinoline-3-carboxylic acid ethyl ester Formula: C33H25FN4O2S MolecularWeight: 560.640603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)F)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=C(C=C5)F)C6=CC=CC=C6

InChI

InChI=1S/C33H25FN4O2S/c1-2-40-32(39)30-28(35-27-16-10-9-15-26(27)29(30)22-11-5-3-6-12-22)21-41-33-37-36-31(23-17-19-24(34)20-18-23)38(33)25-13-7-4-8-14-25/h3-20H,2,21H2,1H3