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

Systemtic Name: 4-cyclopropyl-2-(piperidin-1-ium-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-(piperidin-1-ium-1-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-(1-piperidin-1-iumylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-(piperidin-1-ium-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-(piperidin-1-ium-1-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C16H22N5S+ MolecularWeight: 316.44438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

InChI

InChI=1S/C16H21N5S/c22-16-20(12-19-10-2-1-3-11-19)18-15(21(16)14-4-5-14)13-6-8-17-9-7-13/h6-9,14H,1-5,10-12H2/p+1