ethyl 2-[[5-[(1-adamantylcarbonylamino)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: ethyl 2-[[5-[(1-adamantylcarbonylamino)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-[[[1-adamantyl(oxo)methyl]amino]methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-cyclohexyl-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C25H38N4O3S MolecularWeight: 474.65922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NN=C(N1C2CCCCC2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C(C)SC1=NN=C(N1C2CCCCC2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H38N4O3S/c1-3-32-22(30)16(2)33-24-28-27-21(29(24)20-7-5-4-6-8-20)15-26-23(31)25-12-17-9-18(13-25)11-19(10-17)14-25/h16-20H,3-15H2,1-2H3,(H,26,31)