3-(4-chlorophenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(4-chlorophenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-chlorophenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-chlorophenyl)-4-[3-(4-morpholin-4-iumyl)propyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-chlorophenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-chlorophenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Formula: C15H20ClN4OS+ MolecularWeight: 339.8635

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(=NNC2=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCC[NH+]1CCCN2C(=NNC2=S)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H19ClN4OS/c16-13-4-2-12(3-5-13)14-17-18-15(22)20(14)7-1-6-19-8-10-21-11-9-19/h2-5H,1,6-11H2,(H,18,22)/p+1