5-(3,4-dimethoxyphenyl)-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(3,4-dimethoxyphenyl)-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(3,4-dimethoxyphenyl)-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(3,4-dimethoxyphenyl)-4-methyl-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(3,4-dimethoxyphenyl)-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(3,4-dimethoxyphenyl)-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCOCC2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C16H22N4O3S/c1-18-15(12-4-5-13(21-2)14(10-12)22-3)17-20(16(18)24)11-19-6-8-23-9-7-19/h4-5,10H,6-9,11H2,1-3H3/p+1