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

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-phenyl-1,2,4-triazole-3-thione Formula: C22H28N5S+ MolecularWeight: 394.55622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5S/c1-17-8-7-11-21(18(17)2)25-14-12-24(13-15-25)16-26-22(28)27(19(3)23-26)20-9-5-4-6-10-20/h4-11H,12-16H2,1-3H3/p+1