5-[2-oxidanylidene-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-olate

Systemtic Name: 5-[2-oxidanylidene-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-olate Openeye Name: 5-[2-oxo-2-[4-(trifluoromethyl)-1-piperidyl]ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-olate CAS Name: 5-[[2-oxo-2-[4-(trifluoromethyl)-1-piperidinyl]ethyl]thio]-4-phenyl-1,2,4-triazol-3-olate IUPAC Name: 5-[2-oxo-2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-olate Traditional Name: 5-[[2-keto-2-[4-(trifluoromethyl)piperidino]ethyl]thio]-4-phenyl-1,2,4-triazol-3-olate Formula: C16H16F3N4O2S- MolecularWeight: 385.38405

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(F)(F)F)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)[O-]

Isomeric SMILES

C1CN(CCC1C(F)(F)F)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)[O-]

InChI

InChI=1S/C16H17F3N4O2S/c17-16(18,19)11-6-8-22(9-7-11)13(24)10-26-15-21-20-14(25)23(15)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,20,25)/p-1