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

Systemtic Name: 4-(3-morpholin-4-ium-4-ylpropyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3-morpholin-4-ium-4-ylpropyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[3-(4-morpholin-4-iumyl)propyl]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-morpholin-4-ium-4-ylpropyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3-morpholin-4-ium-4-ylpropyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2CCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2CCC[NH+]3CCOCC3

InChI

InChI=1S/C18H26N4O4S/c1-23-14-11-13(12-15(24-2)16(14)25-3)17-19-20-18(27)22(17)6-4-5-21-7-9-26-10-8-21/h11-12H,4-10H2,1-3H3,(H,20,27)/p+1