4-(2-piperidin-1-ium-1-ylethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2-piperidin-1-ium-1-ylethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(2-piperidin-1-ium-1-ylethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-(1-piperidin-1-iumyl)ethyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-piperidin-1-ium-1-ylethyl)-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(2-piperidin-1-ium-1-ylethyl)-5-(3-pyridyl)-1,2,4-triazole-3-thiolate Formula: C14H19N5S MolecularWeight: 289.39916

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C(=NN=C2[S-])C3=CN=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCN2C(=NN=C2[S-])C3=CN=CC=C3

InChI

InChI=1S/C14H19N5S/c20-14-17-16-13(12-5-4-6-15-11-12)19(14)10-9-18-7-2-1-3-8-18/h4-6,11H,1-3,7-10H2,(H,17,20)