4-(2-morpholin-4-ium-4-ylethyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2-morpholin-4-ium-4-ylethyl)-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-benzyl-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-(4-morpholin-4-iumyl)ethyl]-3-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 3-benzyl-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-benzyl-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Formula: C15H21N4OS+ MolecularWeight: 305.41844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(=NNC2=S)CC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCN2C(=NNC2=S)CC3=CC=CC=C3

InChI

InChI=1S/C15H20N4OS/c21-15-17-16-14(12-13-4-2-1-3-5-13)19(15)7-6-18-8-10-20-11-9-18/h1-5H,6-12H2,(H,17,21)/p+1