5-(furan-2-yl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 5-(furan-2-yl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-(2-furyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-(furan-2-yl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-(2-furyl)-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N4OS/c1-16-9-11-22(12-10-16)15-24-20(26)23(14-17-6-3-2-4-7-17)19(21-24)18-8-5-13-25-18/h2-8,13,16H,9-12,14-15H2,1H3/p+1