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

Systemtic Name: ethyl 2-[[5-[(1-adamantylcarbonylamino)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[[[1-adamantyl(oxo)methyl]amino]methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C26H34N4O3S MolecularWeight: 482.63816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34N4O3S/c1-2-33-23(31)17-34-25-29-28-22(30(25)9-8-18-6-4-3-5-7-18)16-27-24(32)26-13-19-10-20(14-26)12-21(11-19)15-26/h3-7,19-21H,2,8-17H2,1H3,(H,27,32)