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

Systemtic Name: N-[2-(1-adamantyl)ethyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-(1-adamantyl)ethyl]-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[2-(1-adamantyl)ethyl]-2-[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[2-(1-adamantyl)ethyl]-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[2-(1-adamantyl)ethyl]-2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H31N5OS MolecularWeight: 473.63294

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCNC(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CN=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCNC(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CN=CC=C6

InChI

InChI=1S/C27H31N5OS/c33-24(29-10-8-27-14-19-11-20(15-27)13-21(12-19)16-27)18-34-26-31-30-25(22-5-4-9-28-17-22)32(26)23-6-2-1-3-7-23/h1-7,9,17,19-21H,8,10-16,18H2,(H,29,33)