N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C22H14F2N4OS3 MolecularWeight: 484.564566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)NC4=NC5=C(S4)C=C(C=C5)SC(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C(=O)NC4=NC5=C(S4)C=C(C=C5)SC(F)F

InChI

InChI=1S/C22H14F2N4OS3/c23-21(24)31-14-8-9-16-18(11-14)32-22(25-16)26-20(29)15-12-28(13-5-2-1-3-6-13)27-19(15)17-7-4-10-30-17/h1-12,21H,(H,25,26,29)