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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)-1-propan-2-yl-pyrazole-3-carboxamide Openeye Name: N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-isopropyl-pyrazole-3-carboxamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-propan-2-yl-3-pyrazolecarboxamide IUPAC Name: N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-propan-2-ylpyrazole-3-carboxamide Traditional Name: N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-isopropyl-pyrazole-3-carboxamide Formula: C21H18F2N4OS MolecularWeight: 412.455626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=CC(=N1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=C(C=C4S3)F)F

Isomeric SMILES

CC(C)N1C=CC(=N1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=C(C=C4S3)F)F

InChI

InChI=1S/C21H18F2N4OS/c1-13(2)27-9-8-17(25-27)20(28)26(12-14-6-4-3-5-7-14)21-24-19-16(23)10-15(22)11-18(19)29-21/h3-11,13H,12H2,1-2H3