2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)ethanone Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC(=CN4N)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC(=CN4N)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O3S/c1-16-10-20(17(2)28(16)12-18-8-9-23-24(11-18)32-15-31-23)22(30)14-33-25-27-21(13-29(25)26)19-6-4-3-5-7-19/h3-11,13H,12,14-15,26H2,1-2H3