5-methyl-2-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-methyl-2-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 5-methyl-2-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]-4-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 5-methyl-2-[[(2S)-2-methyl-4-morpholin-4-iumyl]methyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-2-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]-4-(4-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 5-methyl-2-[[(2S)-2-methylmorpholin-4-ium-4-yl]methyl]-4-(p-tolyl)-1,2,4-triazole-3-thione Formula: C16H23N4OS+ MolecularWeight: 319.44502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCO1)CN2C(=S)N(C(=N2)C)C3=CC=C(C=C3)C

Isomeric SMILES

C[C@H]1C[NH+](CCO1)CN2C(=S)N(C(=N2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C16H22N4OS/c1-12-4-6-15(7-5-12)20-14(3)17-19(16(20)22)11-18-8-9-21-13(2)10-18/h4-7,13H,8-11H2,1-3H3/p+1/t13-/m0/s1