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

Systemtic Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-4-ethyl-5-morpholin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-4-ethyl-5-morpholino-1,2,4-triazole-3-thione CAS Name: 2-[[(1,3-diphenyl-4-pyrazolyl)methyl-methylamino]methyl]-4-ethyl-5-(4-morpholinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-4-ethyl-5-morpholin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[(1,3-diphenylpyrazol-4-yl)methyl-methyl-amino]methyl]-4-ethyl-5-morpholino-1,2,4-triazole-3-thione Formula: C26H31N7OS MolecularWeight: 489.63564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(C)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)N5CCOCC5

Isomeric SMILES

CCN1C(=NN(C1=S)CN(C)CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)N5CCOCC5

InChI

InChI=1S/C26H31N7OS/c1-3-31-25(30-14-16-34-17-15-30)28-33(26(31)35)20-29(2)18-22-19-32(23-12-8-5-9-13-23)27-24(22)21-10-6-4-7-11-21/h4-13,19H,3,14-18,20H2,1-2H3