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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CN=CC=C5

InChI

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