2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-1-[1-[(4-fluorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-1-[1-(4-fluorobenzyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C22H22FN5OS MolecularWeight: 423.506383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=NN12)SCC(=O)C3=C(N(C(=C3)C)CC4=CC=C(C=C4)F)C)C

Isomeric SMILES

CC1=CC(=NC2=NC(=NN12)SCC(=O)C3=C(N(C(=C3)C)CC4=CC=C(C=C4)F)C)C

InChI

InChI=1S/C22H22FN5OS/c1-13-9-15(3)28-21(24-13)25-22(26-28)30-12-20(29)19-10-14(2)27(16(19)4)11-17-5-7-18(23)8-6-17/h5-10H,11-12H2,1-4H3