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

Systemtic Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[(4-methyl-1-piperidin-1-iumyl)methyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C20H25N4S2+ MolecularWeight: 385.5693

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N4S2/c1-16-9-11-22(12-10-16)15-24-20(25)23(14-17-6-3-2-4-7-17)19(21-24)18-8-5-13-26-18/h2-8,13,16H,9-12,14-15H2,1H3/p+1