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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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