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

Systemtic Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C20H18F2N4OS MolecularWeight: 400.444926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18F2N4OS/c21-15-5-3-14(4-6-15)19-23-24-20(26(19)17-9-7-16(22)8-10-17)28-13-18(27)25-11-1-2-12-25/h3-10H,1-2,11-13H2