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

Systemtic Name: N-phenyl-1-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxamide Openeye Name: N-phenyl-1-[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-3-carboxamide CAS Name: 1-[1-oxo-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: N-phenyl-1-[2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxamide Traditional Name: N-phenyl-1-[2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]nipecotamide Formula: C27H26N6O2S MolecularWeight: 498.59934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H26N6O2S/c34-24(32-16-8-10-21(18-32)26(35)29-22-11-3-1-4-12-22)19-36-27-31-30-25(20-9-7-15-28-17-20)33(27)23-13-5-2-6-14-23/h1-7,9,11-15,17,21H,8,10,16,18-19H2,(H,29,35)