1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-phenyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(1-phenylbenzimidazol-2-yl)thio]ethanone Formula: C29H27N3OS MolecularWeight: 465.60918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5)C)C

InChI

InChI=1S/C29H27N3OS/c1-19-14-15-24(16-20(19)2)31-21(3)17-25(22(31)4)28(33)18-34-29-30-26-12-8-9-13-27(26)32(29)23-10-6-5-7-11-23/h5-17H,18H2,1-4H3