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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-(3,4-dimethoxyphenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(3,4-dimethoxyphenyl)-4-[2-(4-morpholin-4-iumyl)ethyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-(3,4-dimethoxyphenyl)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazole-5-thione Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3S/c1-21-13-4-3-12(11-14(13)22-2)15-17-18-16(24)20(15)6-5-19-7-9-23-10-8-19/h3-4,11H,5-10H2,1-2H3,(H,18,24)/p+1