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

Systemtic Name: 3-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Openeye Name: 3-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one CAS Name: 3-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-2-azepanone IUPAC Name: 3-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]azepan-2-one Traditional Name: 3-[[4,5-bis(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]azepan-2-one Formula: C20H18F2N4OS MolecularWeight: 400.444926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18F2N4OS/c21-14-6-4-13(5-7-14)18-24-25-20(26(18)16-10-8-15(22)9-11-16)28-17-3-1-2-12-23-19(17)27/h4-11,17H,1-3,12H2,(H,23,27)