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

Systemtic Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone Openeye Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone CAS Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)ethanone IUPAC Name: 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone Traditional Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)ethanone Formula: C22H17ClN4OS2 MolecularWeight: 452.97958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN4OS2/c1-13-11-17(14(2)26(13)16-9-7-15(23)8-10-16)19(28)12-29-21-24-25-22-27(21)18-5-3-4-6-20(18)30-22/h3-11H,12H2,1-2H3