1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Openeye Name: 1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[5-[2-(2-thienyl)-4-quinolyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone CAS Name: 1-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[[5-(2-thiophen-2-yl-4-quinolinyl)-1,3,4-oxadiazol-2-yl]thio]ethanone IUPAC Name: 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[[5-(2-thiophen-2-ylquinolin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone Traditional Name: 1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[5-[2-(2-thienyl)-4-quinolyl]-1,3,4-oxadiazol-2-yl]thio]ethanone Formula: C29H21FN4O2S2 MolecularWeight: 540.631043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CSC3=NN=C(O3)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)CSC3=NN=C(O3)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6

InChI

InChI=1S/C29H21FN4O2S2/c1-17-14-22(18(2)34(17)20-11-9-19(30)10-12-20)26(35)16-38-29-33-32-28(36-29)23-15-25(27-8-5-13-37-27)31-24-7-4-3-6-21(23)24/h3-15H,16H2,1-2H3