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

Systemtic Name: ethyl 2-[[5-[(1-adamantylcarbonylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[[[1-adamantyl(oxo)methyl]amino]methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H30N4O3S/c1-3-24-16(22-23-19(24)28-12-17(25)27-4-2)11-21-18(26)20-8-13-5-14(9-20)7-15(6-13)10-20/h13-15H,3-12H2,1-2H3,(H,21,26)