5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-[(3,4-dimethylphenoxy)methyl]-4-methyl-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Formula: C17H25N4O2S+ MolecularWeight: 349.471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NN(C(=S)N2C)C[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NN(C(=S)N2C)C[NH+]3CCOCC3)C

InChI

InChI=1S/C17H24N4O2S/c1-13-4-5-15(10-14(13)2)23-11-16-18-21(17(24)19(16)3)12-20-6-8-22-9-7-20/h4-5,10H,6-9,11-12H2,1-3H3/p+1