1-[1-(3-chloranyl-4-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone

Systemtic Name: 1-[1-(3-chloranyl-4-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone Openeye Name: 1-[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone CAS Name: 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)ethanone IUPAC Name: 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone Traditional Name: 1-[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)ethanone Formula: C22H16ClFN4OS2 MolecularWeight: 470.970043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4

InChI

InChI=1S/C22H16ClFN4OS2/c1-12-9-15(13(2)27(12)14-7-8-17(24)16(23)10-14)19(29)11-30-21-25-26-22-28(21)18-5-3-4-6-20(18)31-22/h3-10H,11H2,1-2H3