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

Systemtic Name: 2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C21H21FN4OS MolecularWeight: 396.481043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C21H21FN4OS/c22-17-9-11-18(12-10-17)26-20(16-7-3-1-4-8-16)23-24-21(26)28-15-19(27)25-13-5-2-6-14-25/h1,3-4,7-12H,2,5-6,13-15H2