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

Systemtic Name: 2-[[cyclohexyl(ethyl)amino]methyl]-4-methyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[cyclohexyl(ethyl)amino]methyl]-4-methyl-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[cyclohexyl(ethyl)amino]methyl]-4-methyl-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[cyclohexyl(ethyl)amino]methyl]-4-methyl-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[cyclohexyl(ethyl)amino]methyl]-4-methyl-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C17H25N5S MolecularWeight: 331.4789

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CN1C(=S)N(C(=N1)C2=CN=CC=C2)C)C3CCCCC3

Isomeric SMILES

CCN(CN1C(=S)N(C(=N1)C2=CN=CC=C2)C)C3CCCCC3

InChI

InChI=1S/C17H25N5S/c1-3-21(15-9-5-4-6-10-15)13-22-17(23)20(2)16(19-22)14-8-7-11-18-12-14/h7-8,11-12,15H,3-6,9-10,13H2,1-2H3