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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]ethanone Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]ethanone IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]ethanone Traditional Name: 2-(1H-benzimidazol-2-ylthio)-1-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)ethanone Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C20H25N3OS/c1-13(2)9-10-23-14(3)11-16(15(23)4)19(24)12-25-20-21-17-7-5-6-8-18(17)22-20/h5-8,11,13H,9-10,12H2,1-4H3,(H,21,22)