N-benzo[e][1,3]benzothiazol-2-yl-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(2-pyridyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-1-(2-pyridinyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(2-pyridyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C21H12F3N5OS MolecularWeight: 439.41309

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)C4=C(N(N=C4)C5=CC=CC=N5)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)C4=C(N(N=C4)C5=CC=CC=N5)C(F)(F)F

InChI

InChI=1S/C21H12F3N5OS/c22-21(23,24)18-14(11-26-29(18)16-7-3-4-10-25-16)19(30)28-20-27-17-13-6-2-1-5-12(13)8-9-15(17)31-20/h1-11H,(H,27,28,30)