4-(4-methoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4-(4-methoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(4-methoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(4-methoxyphenyl)-2-[[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(4-methoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(4-methoxyphenyl)-2-[[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C21H26N5O2S+ MolecularWeight: 412.52844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C21H25N5O2S/c1-27-18-9-7-17(8-10-18)25-15-22-26(21(25)29)16-23-11-13-24(14-12-23)19-5-3-4-6-20(19)28-2/h3-10,15H,11-14,16H2,1-2H3/p+1