N-(1-adamantyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C26H35N5OS MolecularWeight: 465.654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H35N5OS/c32-24(27-26-14-19-11-20(15-26)13-21(12-19)16-26)18-33-25-29-28-23(17-30-9-5-2-6-10-30)31(25)22-7-3-1-4-8-22/h1,3-4,7-8,19-21H,2,5-6,9-18H2,(H,27,32)