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

Systemtic Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-[(1-phenyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-[(1-phenylbenzimidazol-2-yl)thio]ethanone Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3OS/c1-19-13-15-23(16-14-19)30-20(2)17-24(21(30)3)27(32)18-33-28-29-25-11-7-8-12-26(25)31(28)22-9-5-4-6-10-22/h4-17H,18H2,1-3H3