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

Systemtic Name: 4-(2-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(2-methylphenyl)-2-(4-morpholin-4-iumylmethyl)-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(2-methylphenyl)-2-(morpholin-4-ium-4-ylmethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-4-(o-tolyl)-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C19H22N5OS+ MolecularWeight: 368.47588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN(C2=S)C[NH+]3CCOCC3)C4=CN=CC=C4

InChI

InChI=1S/C19H21N5OS/c1-15-5-2-3-7-17(15)24-18(16-6-4-8-20-13-16)21-23(19(24)26)14-22-9-11-25-12-10-22/h2-8,13H,9-12,14H2,1H3/p+1