1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-phenyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-[(1-phenylbenzimidazol-2-yl)thio]ethanone Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=CC=CC=C5N4C6=CC=CC=C6

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=CC=CC=C5N4C6=CC=CC=C6

InChI

InChI=1S/C29H25N3O3S/c1-19-14-23(20(2)31(19)16-21-12-13-27-28(15-21)35-18-34-27)26(33)17-36-29-30-24-10-6-7-11-25(24)32(29)22-8-4-3-5-9-22/h3-15H,16-18H2,1-2H3