4,5-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide

Systemtic Name: 4,5-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Openeye Name: 4,5-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide CAS Name: 4,5-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide IUPAC Name: 4,5-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide Traditional Name: 3,4-bis(4-fluorophenyl)-N-(4-phenoxyphenyl)-2-pyrazoline-1-carbothioamide Formula: C28H21F2N3OS MolecularWeight: 485.547646

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NN1C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1C(C(=NN1C(=S)NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H21F2N3OS/c29-21-10-6-19(7-11-21)26-18-33(32-27(26)20-8-12-22(30)13-9-20)28(35)31-23-14-16-25(17-15-23)34-24-4-2-1-3-5-24/h1-17,26H,18H2,(H,31,35)