5-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-5-(p-tolyl)-1H-1,2,4-triazole-3-thione CAS Name: 5-(4-methylphenyl)-2-(4-morpholin-4-iumylmethyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-5-(p-tolyl)-1H-1,2,4-triazole-3-thione Formula: C14H19N4OS+ MolecularWeight: 291.39186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCOCC3

InChI

InChI=1S/C14H18N4OS/c1-11-2-4-12(5-3-11)13-15-14(20)18(16-13)10-17-6-8-19-9-7-17/h2-5H,6-10H2,1H3,(H,15,16,20)/p+1