2-[[5-(1-benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-(benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-benzofuranyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(benzofuran-2-yl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]acetate Formula: C18H18N3O3S- MolecularWeight: 356.41882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)[O-])C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)[O-])C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C18H19N3O3S/c22-16(23)11-25-18-20-19-17(21(18)13-7-2-1-3-8-13)15-10-12-6-4-5-9-14(12)24-15/h4-6,9-10,13H,1-3,7-8,11H2,(H,22,23)/p-1