2-[(2,4,5-triphenylpyrazol-3-yl)methylsulfanyl]benzoyl fluoride

Systemtic Name: 2-[(2,4,5-triphenylpyrazol-3-yl)methylsulfanyl]benzoyl fluoride Openeye Name: 2-[(2,4,5-triphenylpyrazol-3-yl)methylsulfanyl]benzoyl fluoride CAS Name: 2-[(2,4,5-triphenyl-3-pyrazolyl)methylthio]benzoyl fluoride IUPAC Name: 2-[(2,4,5-triphenylpyrazol-3-yl)methylsulfanyl]benzoyl fluoride Traditional Name: 2-[(2,4,5-triphenylpyrazol-3-yl)methylthio]benzoyl fluoride Formula: C29H21FN2OS MolecularWeight: 464.553243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)CSC5=CC=CC=C5C(=O)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)CSC5=CC=CC=C5C(=O)F

InChI

InChI=1S/C29H21FN2OS/c30-29(33)24-18-10-11-19-26(24)34-20-25-27(21-12-4-1-5-13-21)28(22-14-6-2-7-15-22)31-32(25)23-16-8-3-9-17-23/h1-19H,20H2