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1-[1-[4-[bis(fluoranyl)methoxy]phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanone

1-[1-[4-[bis(fluoranyl)methoxy]phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanone

Systemtic Name:1-[1-[4-[bis(fluoranyl)methoxy]phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanone
Openeye Name:1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanone
CAS Name:1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-3-pyrrolyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]ethanone
IUPAC Name:1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]ethanone
Traditional Name:1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]ethanone
Formula: C22H21F2N5O2S
MolecularWeight: 457.496246
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NN=C(N12)SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)OC(F)F)C)C


Isomeric SMILES

CC1=CC(=NC2=NN=C(N12)SCC(=O)C3=C(N(C(=C3)C)C4=CC=C(C=C4)OC(F)F)C)C


InChI

InChI=1S/C22H21F2N5O2S/c1-12-9-13(2)29-21(25-12)26-27-22(29)32-11-19(30)18-10-14(3)28(15(18)4)16-5-7-17(8-6-16)31-20(23)24/h5-10,20H,11H2,1-4H3


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