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

Systemtic Name: 4-(4-chlorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-chlorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-chlorophenyl)-3-(4-morpholin-4-iumylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-chlorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-chlorophenyl)-3-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-5-thione Formula: C13H16ClN4OS+ MolecularWeight: 311.81034

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NNC(=S)N2C3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCC[NH+]1CC2=NNC(=S)N2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H15ClN4OS/c14-10-1-3-11(4-2-10)18-12(15-16-13(18)20)9-17-5-7-19-8-6-17/h1-4H,5-9H2,(H,16,20)/p+1