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

Systemtic Name: 4-(2-morpholin-4-ium-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2-morpholin-4-ium-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[2-(4-morpholin-4-iumyl)ethyl]-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(2-morpholin-4-ium-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2-morpholin-4-ium-4-ylethyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione Formula: C17H25N4O4S+ MolecularWeight: 381.4698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2CC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2CC[NH+]3CCOCC3

InChI

InChI=1S/C17H24N4O4S/c1-22-13-10-12(11-14(23-2)15(13)24-3)16-18-19-17(26)21(16)5-4-20-6-8-25-9-7-20/h10-11H,4-9H2,1-3H3,(H,19,26)/p+1