5-(4-chlorophenyl)-4-ethyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-chlorophenyl)-4-ethyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-4-ethyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-4-ethyl-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-4-ethyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-4-ethyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C15H20ClN4OS+ MolecularWeight: 339.8635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H19ClN4OS/c1-2-19-14(12-3-5-13(16)6-4-12)17-20(15(19)22)11-18-7-9-21-10-8-18/h3-6H,2,7-11H2,1H3/p+1