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

Systemtic Name: 5-[(4-chloranylphenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-[(4-chlorophenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-[(4-chlorophenoxy)methyl]-2-(4-morpholin-4-iumylmethyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-[(4-chlorophenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-[(4-chlorophenoxy)methyl]-2-(morpholin-4-ium-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C20H22ClN4O2S+ MolecularWeight: 417.93228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H21ClN4O2S/c21-16-6-8-18(9-7-16)27-14-19-22-24(15-23-10-12-26-13-11-23)20(28)25(19)17-4-2-1-3-5-17/h1-9H,10-15H2/p+1