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

Systemtic Name: 4-(2-methylphenyl)-2-(piperidin-1-ium-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(o-tolyl)-2-(piperidin-1-ium-1-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-methylphenyl)-2-(1-piperidin-1-iumylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methylphenyl)-2-(piperidin-1-ium-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(o-tolyl)-2-(piperidin-1-ium-1-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H24N5S+ MolecularWeight: 366.50306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCCCC3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C20H23N5S/c1-16-7-3-4-8-18(16)25-19(17-9-11-21-12-10-17)22-24(20(25)26)15-23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3/p+1