2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H15F2N3OS MolecularWeight: 407.435806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H15F2N3OS/c23-17-8-6-16(7-9-17)21-25-26-22(27(21)19-12-10-18(24)11-13-19)29-14-20(28)15-4-2-1-3-5-15/h1-13H,14H2