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

Systemtic Name: 1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-[(1-phenyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(1-phenylbenzimidazol-2-yl)thio]ethanone Formula: C27H22FN3OS MolecularWeight: 455.546483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22FN3OS/c1-18-16-23(19(2)30(18)22-14-12-20(28)13-15-22)26(32)17-33-27-29-24-10-6-7-11-25(24)31(27)21-8-4-3-5-9-21/h3-16H,17H2,1-2H3