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

Systemtic Name: 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[5-(3-fluorophenyl)-4-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=CC=C3)C4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

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