5-[(4-cyclohexylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-[(4-cyclohexylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-[(4-cyclohexylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-[(4-cyclohexylphenoxy)methyl]-2-(4-morpholin-4-iumylmethyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-cyclohexylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-[(4-cyclohexylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C26H33N4O2S+ MolecularWeight: 465.63082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN(C(=S)N3C4=CC=CC=C4)C[NH+]5CCOCC5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OCC3=NN(C(=S)N3C4=CC=CC=C4)C[NH+]5CCOCC5

InChI

InChI=1S/C26H32N4O2S/c33-26-29(20-28-15-17-31-18-16-28)27-25(30(26)23-9-5-2-6-10-23)19-32-24-13-11-22(12-14-24)21-7-3-1-4-8-21/h2,5-6,9-14,21H,1,3-4,7-8,15-20H2/p+1