1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[(1-ethyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-(1-ethylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[(1-ethylbenzimidazol-2-yl)thio]ethanone Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)CC4=CC=CC=C4)C

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H25N3OS/c1-4-26-22-13-9-8-12-21(22)25-24(26)29-16-23(28)20-14-17(2)27(18(20)3)15-19-10-6-5-7-11-19/h5-14H,4,15-16H2,1-3H3