4-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-(4-morpholin-4-iumylmethyl)-5-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C15H21N4OS+ MolecularWeight: 305.41844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCOCC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCOCC2)CC3=CC=CC=C3

InChI

InChI=1S/C15H20N4OS/c1-17-14(11-13-5-3-2-4-6-13)16-19(15(17)21)12-18-7-9-20-10-8-18/h2-6H,7-12H2,1H3/p+1