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

Systemtic Name: 5-methyl-4-(phenylmethyl)-2-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-methyl-2-[[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-methyl-4-(phenylmethyl)-2-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-methyl-2-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-methyl-2-[[4-(3-thenyl)piperazin-4-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C20H26N5S2+ MolecularWeight: 400.58394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C20H25N5S2/c1-17-21-25(20(26)24(17)14-18-5-3-2-4-6-18)16-23-10-8-22(9-11-23)13-19-7-12-27-15-19/h2-7,12,15H,8-11,13-14,16H2,1H3/p+1