3-(5-chloranyl-2-methoxy-phenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(5-chloranyl-2-methoxy-phenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(5-chloro-2-methoxy-phenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(5-chloro-2-methoxyphenyl)-4-[2-(4-morpholin-4-iumyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(5-chloro-2-methoxyphenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Formula: C15H20ClN4O2S+ MolecularWeight: 355.8629

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2CC[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2CC[NH+]3CCOCC3

InChI

InChI=1S/C15H19ClN4O2S/c1-21-13-3-2-11(16)10-12(13)14-17-18-15(23)20(14)5-4-19-6-8-22-9-7-19/h2-3,10H,4-9H2,1H3,(H,18,23)/p+1