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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)F

InChI

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