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

Systemtic Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C21H26N5S+ MolecularWeight: 380.52964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NNC(=S)N3C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=NNC(=S)N3C4=CC=CC=C4)C

InChI

InChI=1S/C21H25N5S/c1-16-7-6-10-19(17(16)2)25-13-11-24(12-14-25)15-20-22-23-21(27)26(20)18-8-4-3-5-9-18/h3-10H,11-15H2,1-2H3,(H,23,27)/p+1