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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN(C2=S)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1N2C=NN(C2=S)C[NH+]3CCOCC3

InChI

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