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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCC3=NNC(=S)N3C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCC3=NNC(=S)N3C4=CC=CC=C4)C

InChI

InChI=1S/C22H27N5S/c1-17-7-6-10-20(18(17)2)26-15-13-25(14-16-26)12-11-21-23-24-22(28)27(21)19-8-4-3-5-9-19/h3-10H,11-16H2,1-2H3,(H,24,28)/p+1