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

Systemtic Name: 1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(1-hexyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-hexylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(1-hexylbenzimidazol-2-yl)thio]ethanone Formula: C23H29N3O2S MolecularWeight: 411.56026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C23H29N3O2S/c1-5-6-7-10-13-26-19-12-9-8-11-18(19)25-23(26)29-14-20(28)22-15(2)21(17(4)27)16(3)24-22/h8-9,11-12,24H,5-7,10,13-14H2,1-4H3