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

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N[C@H](C)C23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

InChI

InChI=1S/C23H31N5OS/c1-3-28-21(19-4-6-24-7-5-19)26-27-22(28)30-14-20(29)25-15(2)23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,15-18H,3,8-14H2,1-2H3,(H,25,29)/t15-,16?,17?,18?,23?/m1/s1