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

Systemtic Name: 2-[[cyclohexyl(methyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[cyclohexyl(methyl)amino]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[cyclohexyl(methyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[cyclohexyl(methyl)amino]methyl]-4-phenyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[cyclohexyl(methyl)amino]methyl]-4-phenyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H25N5S MolecularWeight: 379.5217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5S/c1-24(18-8-4-2-5-9-18)16-25-21(27)26(19-10-6-3-7-11-19)20(23-25)17-12-14-22-15-13-17/h3,6-7,10-15,18H,2,4-5,8-9,16H2,1H3