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

Systemtic Name: 2-[[2-adamantyl(methyl)amino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[2-adamantyl(methyl)amino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[2-adamantyl(methyl)amino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[2-adamantyl(methyl)amino]methyl]-4-ethyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[2-adamantyl(methyl)amino]methyl]-4-ethyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H29N5S MolecularWeight: 383.55346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5S/c1-3-25-20(16-4-6-22-7-5-16)23-26(21(25)27)13-24(2)19-17-9-14-8-15(11-17)12-18(19)10-14/h4-7,14-15,17-19H,3,8-13H2,1-2H3