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

Systemtic Name: 5-phenyl-4-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-phenyl-4-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazole-3-thiolate CAS Name: 5-phenyl-4-[2-(1-piperidin-1-iumyl)ethyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-phenyl-4-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-phenyl-4-(2-piperidin-1-ium-1-ylethyl)-1,2,4-triazole-3-thiolate Formula: C15H20N4S MolecularWeight: 288.4111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4S/c20-15-17-16-14(13-7-3-1-4-8-13)19(15)12-11-18-9-5-2-6-10-18/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,20)