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

Systemtic Name: 2-(piperidin-1-ium-1-ylmethyl)-4-pyridin-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-(piperidin-1-ium-1-ylmethyl)-4-(2-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-(1-piperidin-1-iumylmethyl)-4-(2-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-(piperidin-1-ium-1-ylmethyl)-4-pyridin-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-(piperidin-1-ium-1-ylmethyl)-4-(2-pyridyl)-1,2,4-triazole-3-thione Formula: C13H18N5S+ MolecularWeight: 276.38052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N(C=N2)C3=CC=CC=N3

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N(C=N2)C3=CC=CC=N3

InChI

InChI=1S/C13H17N5S/c19-13-17(12-6-2-3-7-14-12)10-15-18(13)11-16-8-4-1-5-9-16/h2-3,6-7,10H,1,4-5,8-9,11H2/p+1