1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-isobutylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(1-isobutylbenzimidazol-2-yl)thio]ethanone Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3N2CC(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3N2CC(C)C

InChI

InChI=1S/C21H25N3O2S/c1-12(2)10-24-17-9-7-6-8-16(17)23-21(24)27-11-18(26)20-13(3)19(15(5)25)14(4)22-20/h6-9,12,22H,10-11H2,1-5H3