2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(m-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(3-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(m-tolyl)-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)N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4O)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=C4O)C

InChI

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