5-(furan-2-yl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(furan-2-yl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-4-phenyl-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-4-phenyl-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]-1,2,4-triazole-3-thione Formula: C24H26N5O3S2+ MolecularWeight: 496.62494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C24H25N5O3S2/c1-19-9-11-21(12-10-19)34(30,31)27-15-13-26(14-16-27)18-28-24(33)29(20-6-3-2-4-7-20)23(25-28)22-8-5-17-32-22/h2-12,17H,13-16,18H2,1H3/p+1