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

Systemtic Name: ethyl 2-[[5-[(1-adamantylcarbonylamino)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[[[1-adamantyl(oxo)methyl]amino]methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-p-phenetyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OCC)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OCC)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H34N4O4S/c1-3-33-21-7-5-20(6-8-21)30-22(28-29-25(30)35-16-23(31)34-4-2)15-27-24(32)26-12-17-9-18(13-26)11-19(10-17)14-26/h5-8,17-19H,3-4,9-16H2,1-2H3,(H,27,32)