1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylthio)ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)ethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylthio)ethanone Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NNC5=NC6=CC=CC=C6N54

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NNC5=NC6=CC=CC=C6N54

InChI

InChI=1S/C24H21N5O3S/c1-14-9-17(15(2)28(14)11-16-7-8-21-22(10-16)32-13-31-21)20(30)12-33-24-27-26-23-25-18-5-3-4-6-19(18)29(23)24/h3-10H,11-13H2,1-2H3,(H,25,26)