N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-4-cyano-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-4-cyano-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 4-cyano-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide CAS Name: 4-cyano-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridinylmethyl)benzamide IUPAC Name: 4-cyano-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 4-cyano-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-pyridylmethyl)benzamide Formula: C21H12F2N4OS MolecularWeight: 406.407986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN(C2=NC3=C(C=C(C=C3S2)F)F)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC(=CN=C1)CN(C2=NC3=C(C=C(C=C3S2)F)F)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H12F2N4OS/c22-16-8-17(23)19-18(9-16)29-21(26-19)27(12-14-2-1-7-25-11-14)20(28)15-5-3-13(10-24)4-6-15/h1-9,11H,12H2