1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(1-phenethyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-phenethylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(1-phenethylbenzimidazol-2-yl)thio]ethanone Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O2S/c1-16-23(18(3)29)17(2)26-24(16)22(30)15-31-25-27-20-11-7-8-12-21(20)28(25)14-13-19-9-5-4-6-10-19/h4-12,26H,13-15H2,1-3H3