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

Systemtic Name: 4-(4-methoxyphenyl)-2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-(4-methoxyphenyl)-2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-(4-methoxyphenyl)-2-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-(4-methoxyphenyl)-2-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-(4-methoxyphenyl)-2-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C21H26N5OS+ MolecularWeight: 396.52904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C(=S)N(C=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C(=S)N(C=N3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H25N5OS/c1-17-4-3-5-19(14-17)24-12-10-23(11-13-24)16-26-21(28)25(15-22-26)18-6-8-20(27-2)9-7-18/h3-9,14-15H,10-13,16H2,1-2H3/p+1