1-[1-[4-[bis(fluoranyl)methoxy]phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propan-1-one

Systemtic Name: 1-[1-[4-[bis(fluoranyl)methoxy]phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propan-1-one Openeye Name: 1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propan-1-one CAS Name: 1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-3-pyrrolyl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)-1-propanone IUPAC Name: 1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethylpyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propan-1-one Traditional Name: 1-[1-[4-(difluoromethoxy)phenyl]-2,5-dimethyl-pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylthio)propan-1-one Formula: C24H20F2N4O2S2 MolecularWeight: 498.568006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)C(C)SC3=NN=C4N3C5=CC=CC=C5S4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC(F)F)C)C(=O)C(C)SC3=NN=C4N3C5=CC=CC=C5S4

InChI

InChI=1S/C24H20F2N4O2S2/c1-13-12-18(14(2)29(13)16-8-10-17(11-9-16)32-22(25)26)21(31)15(3)33-23-27-28-24-30(23)19-6-4-5-7-20(19)34-24/h4-12,15,22H,1-3H3