N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C25H17F3N4OS MolecularWeight: 478.48889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4)C(F)(F)F

InChI

InChI=1S/C25H17F3N4OS/c26-25(27,28)23-19(15-29-32(23)18-6-2-1-3-7-18)24(33)30-17-12-10-16(11-13-17)14-22-31-20-8-4-5-9-21(20)34-22/h1-13,15H,14H2,(H,30,33)