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

Systemtic Name: 2-[[2-adamantyl(ethyl)amino]methyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[2-adamantyl(ethyl)amino]methyl]-4-benzyl-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[2-adamantyl(ethyl)amino]methyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[2-adamantyl(ethyl)amino]methyl]-4-benzyl-5-methyl-1,2,4-triazole-3-thione Traditional Name: 2-[[2-adamantyl(ethyl)amino]methyl]-4-benzyl-5-methyl-1,2,4-triazole-3-thione Formula: C23H32N4S MolecularWeight: 396.59198

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CN1C(=S)N(C(=N1)C)CC2=CC=CC=C2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCN(CN1C(=S)N(C(=N1)C)CC2=CC=CC=C2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H32N4S/c1-3-25(22-20-10-18-9-19(12-20)13-21(22)11-18)15-27-23(28)26(16(2)24-27)14-17-7-5-4-6-8-17/h4-8,18-22H,3,9-15H2,1-2H3