2-[[2-adamantyl(methyl)amino]methyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[2-adamantyl(methyl)amino]methyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole-3-thione Openeye Name: 2-[[2-adamantyl(methyl)amino]methyl]-4-ethyl-5-(2-furyl)-1,2,4-triazole-3-thione CAS Name: 2-[[2-adamantyl(methyl)amino]methyl]-4-ethyl-5-(2-furanyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[2-adamantyl(methyl)amino]methyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole-3-thione Traditional Name: 2-[[2-adamantyl(methyl)amino]methyl]-4-ethyl-5-(2-furyl)-1,2,4-triazole-3-thione Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(C)C2C3CC4CC(C3)CC2C4)C5=CC=CO5

Isomeric SMILES

CCN1C(=NN(C1=S)CN(C)C2C3CC4CC(C3)CC2C4)C5=CC=CO5

InChI

InChI=1S/C20H28N4OS/c1-3-23-19(17-5-4-6-25-17)21-24(20(23)26)12-22(2)18-15-8-13-7-14(10-15)11-16(18)9-13/h4-6,13-16,18H,3,7-12H2,1-2H3