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

Systemtic Name: 5-methyl-4-(2-methylphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-methyl-4-(o-tolyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(2-methylphenyl)-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-methyl-4-(2-methylphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-methyl-4-(o-tolyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C16H23N4S+ MolecularWeight: 303.44562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCCCC3)C

InChI

InChI=1S/C16H22N4S/c1-13-8-4-5-9-15(13)20-14(2)17-19(16(20)21)12-18-10-6-3-7-11-18/h4-5,8-9H,3,6-7,10-12H2,1-2H3/p+1