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

Systemtic Name: 1-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: 1-[2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-N-phenyl-piperidine-3-carboxamide CAS Name: 1-[2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: 1-[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-N-phenylpiperidine-3-carboxamide Traditional Name: 1-[2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetyl]-N-phenyl-nipecotamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C22H25N5O3S/c1-2-27-20(18-11-7-13-30-18)24-25-22(27)31-15-19(28)26-12-6-8-16(14-26)21(29)23-17-9-4-3-5-10-17/h3-5,7,9-11,13,16H,2,6,8,12,14-15H2,1H3,(H,23,29)