5-(phenoxymethyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(phenoxymethyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-(phenoxymethyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(phenoxymethyl)-4-phenyl-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-(phenoxymethyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 5-(phenoxymethyl)-4-phenyl-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4OS/c27-21-24(17-23-14-8-3-9-15-23)22-20(16-26-19-12-6-2-7-13-19)25(21)18-10-4-1-5-11-18/h1-2,4-7,10-13H,3,8-9,14-17H2/p+1