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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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