N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C18H10F4N4OS MolecularWeight: 406.356813

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)C(F)(F)F

InChI

InChI=1S/C18H10F4N4OS/c19-10-6-7-13-14(8-10)28-17(24-13)25-16(27)12-9-23-26(15(12)18(20,21)22)11-4-2-1-3-5-11/h1-9H,(H,24,25,27)