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

Systemtic Name: 5-(furan-2-yl)-4-(phenylmethyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-(2-furyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-4-(phenylmethyl)-2-(1-piperidin-1-iumylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-(furan-2-yl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-(2-furyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C19H22N4OS/c25-19-22(14-16-8-3-1-4-9-16)18(17-10-7-13-24-17)20-23(19)15-21-11-5-2-6-12-21/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2/p+1