N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-pyridine-3-carboxamide

Systemtic Name: N-[2-[2,2-bis(fluoranyl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-pyridine-3-carboxamide Openeye Name: N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-pyridine-3-carboxamide CAS Name: N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]-6-(1-pyrazolyl)-3-pyridinecarboxamide IUPAC Name: N-[2-(2,2-difluoroethylsulfanyl)-1,3-benzothiazol-6-yl]-6-pyrazol-1-ylpyridine-3-carboxamide Traditional Name: N-[2-(2,2-difluoroethylthio)-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-nicotinamide Formula: C18H13F2N5OS2 MolecularWeight: 417.455526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=NC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC(F)F

Isomeric SMILES

C1=CN(N=C1)C2=NC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SCC(F)F

InChI

InChI=1S/C18H13F2N5OS2/c19-15(20)10-27-18-24-13-4-3-12(8-14(13)28-18)23-17(26)11-2-5-16(21-9-11)25-7-1-6-22-25/h1-9,15H,10H2,(H,23,26)