1-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-2-[1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanone Openeye Name: 2-(1-benzylimidazol-2-yl)sulfanyl-1-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]-2-[[1-(phenylmethyl)-2-imidazolyl]thio]ethanone IUPAC Name: 2-(1-benzylimidazol-2-yl)sulfanyl-1-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)ethanone Traditional Name: 2-[(1-benzylimidazol-2-yl)thio]-1-[2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]ethanone Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)CSC3=NC=CN3CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)CSC3=NC=CN3CC4=CC=CC=C4

InChI

InChI=1S/C23H22N4OS/c1-17-14-20(18(2)27(17)22-10-6-7-11-24-22)21(28)16-29-23-25-12-13-26(23)15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3