2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]-1-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C23H20ClFN4O2S MolecularWeight: 470.946903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=NNC(=N3)C4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=NNC(=N3)C4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C23H20ClFN4O2S/c1-13-10-16(14(2)29(13)19-7-5-4-6-18(19)25)20(30)12-32-23-26-22(27-28-23)17-11-15(24)8-9-21(17)31-3/h4-11H,12H2,1-3H3,(H,26,27,28)