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

Systemtic Name: 3-(4-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-methoxyphenyl)-4-[3-(4-morpholin-4-iumyl)propyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-methoxyphenyl)-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CCC[NH+]3CCOCC3

InChI

InChI=1S/C16H22N4O2S/c1-21-14-5-3-13(4-6-14)15-17-18-16(23)20(15)8-2-7-19-9-11-22-12-10-19/h3-6H,2,7-12H2,1H3,(H,18,23)/p+1