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

Systemtic Name: 1-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetyl]isonipecotamide Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C21H28N6O2S/c22-19(29)16-9-13-25(14-10-16)18(28)15-30-21-24-23-20(26-11-5-2-6-12-26)27(21)17-7-3-1-4-8-17/h1,3-4,7-8,16H,2,5-6,9-15H2,(H2,22,29)