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

Systemtic Name: 4-(4-chlorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-(4-chlorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-chlorophenyl)-2-(1-piperidin-1-iumylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-(4-chlorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-(4-chlorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C19H21ClN5S+ MolecularWeight: 386.92154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H20ClN5S/c20-16-4-6-17(7-5-16)25-18(15-8-10-21-11-9-15)22-24(19(25)26)14-23-12-2-1-3-13-23/h4-11H,1-3,12-14H2/p+1