N-(4-iodophenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide

Systemtic Name: N-(4-iodophenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Openeye Name: N-(4-iodophenyl)-4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide CAS Name: N-(4-iodophenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzamide IUPAC Name: N-(4-iodophenyl)-4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzamide Traditional Name: N-(4-iodophenyl)-4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzamide Formula: C21H13F3IN3OS MolecularWeight: 539.3121

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)I)C(F)(F)F

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NN2C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)I)C(F)(F)F

InChI

InChI=1S/C21H13F3IN3OS/c22-21(23,24)19-12-17(18-2-1-11-30-18)28(27-19)16-9-3-13(4-10-16)20(29)26-15-7-5-14(25)6-8-15/h1-12H,(H,26,29)