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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H19N3O3S/c1-13-9-16(14(2)25(13)15-7-8-20-21(10-15)28-12-27-20)19(26)11-29-22-23-17-5-3-4-6-18(17)24-22/h3-10H,11-12H2,1-2H3,(H,23,24)