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

Systemtic Name: 2-[[cyclohexyl(ethyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[cyclohexyl(ethyl)amino]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[cyclohexyl(ethyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[cyclohexyl(ethyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[cyclohexyl(ethyl)amino]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H27N5S MolecularWeight: 393.54828

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CCN(CN1C(=S)N(C(=N1)C2=CC=NC=C2)C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C22H27N5S/c1-2-25(19-9-5-3-6-10-19)17-26-22(28)27(20-11-7-4-8-12-20)21(24-26)18-13-15-23-16-14-18/h4,7-8,11-16,19H,2-3,5-6,9-10,17H2,1H3