1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[2,5-dimethyl-1-(2-thienylmethyl)pyrrol-3-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanone Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=NC4=C(N3)C=C(C=C4)OC

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)CSC3=NC4=C(N3)C=C(C=C4)OC

InChI

InChI=1S/C21H21N3O2S2/c1-13-9-17(14(2)24(13)11-16-5-4-8-27-16)20(25)12-28-21-22-18-7-6-15(26-3)10-19(18)23-21/h4-10H,11-12H2,1-3H3,(H,22,23)