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

Systemtic Name: N-[6-[bis(fluoranyl)methylsulfanyl]-1,3-benzothiazol-2-yl]-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[6-(difluoromethylsulfanyl)-1,3-benzothiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[6-(difluoromethylthio)-1,3-benzothiazol-2-yl]-1,3-diphenyl-pyrazole-4-carboxamide Formula: C24H16F2N4OS2 MolecularWeight: 478.536846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=NC4=C(S3)C=C(C=C4)SC(F)F)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3=NC4=C(S3)C=C(C=C4)SC(F)F)C5=CC=CC=C5

InChI

InChI=1S/C24H16F2N4OS2/c25-23(26)32-17-11-12-19-20(13-17)33-24(27-19)28-22(31)18-14-30(16-9-5-2-6-10-16)29-21(18)15-7-3-1-4-8-15/h1-14,23H,(H,27,28,31)