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

Systemtic Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-phenyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(1-phenylbenzimidazol-2-yl)thio]ethanone Formula: C28H25N3O2S MolecularWeight: 467.582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C(=O)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O2S/c1-19-17-24(20(2)30(19)22-13-15-23(33-3)16-14-22)27(32)18-34-28-29-25-11-7-8-12-26(25)31(28)21-9-5-4-6-10-21/h4-17H,18H2,1-3H3