1-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[5-(2-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]isonipecotate Formula: C20H19N4O4S- MolecularWeight: 411.45426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C20H20N4O4S/c25-17(23-10-8-14(9-11-23)19(26)27)13-29-20-22-21-18(16-7-4-12-28-16)24(20)15-5-2-1-3-6-15/h1-7,12,14H,8-11,13H2,(H,26,27)/p-1