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

Systemtic Name: 4-(phenylmethyl)-2-(piperidin-1-ium-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-(piperidin-1-ium-1-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-(phenylmethyl)-2-(1-piperidin-1-iumylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-(piperidin-1-ium-1-ylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-(piperidin-1-ium-1-ylmethyl)-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C20H24N5S+ MolecularWeight: 366.50306

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N5S/c26-20-24(15-17-7-3-1-4-8-17)19(18-9-11-21-12-10-18)22-25(20)16-23-13-5-2-6-14-23/h1,3-4,7-12H,2,5-6,13-16H2/p+1