4-[2,5-dimethyl-3-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[2,5-dimethyl-3-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[2,5-dimethyl-3-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[2,5-dimethyl-3-[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]-1-pyrrolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[2,5-dimethyl-3-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[2,5-dimethyl-3-[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]pyrrol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H27N5O2S MolecularWeight: 485.60058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC4=NC5=CC=CC=C5N4C

Isomeric SMILES

CC1=CC(=C(N1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C)C(=O)CSC4=NC5=CC=CC=C5N4C

InChI

InChI=1S/C27H27N5O2S/c1-17-15-21(24(33)16-35-27-28-22-13-9-10-14-23(22)29(27)4)18(2)31(17)25-19(3)30(5)32(26(25)34)20-11-7-6-8-12-20/h6-15H,16H2,1-5H3