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

Systemtic Name: 4-methyl-5-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-5-(4-methylphenyl)-2-(4-morpholin-4-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-5-(4-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-(morpholin-4-ium-4-ylmethyl)-5-(p-tolyl)-1,2,4-triazole-3-thione Formula: C15H21N4OS+ MolecularWeight: 305.41844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=S)N2C)C[NH+]3CCOCC3

InChI

InChI=1S/C15H20N4OS/c1-12-3-5-13(6-4-12)14-16-19(15(21)17(14)2)11-18-7-9-20-10-8-18/h3-6H,7-11H2,1-2H3/p+1