5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C19H21N5O2S2 MolecularWeight: 415.53234

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)[S-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)[S-]

InChI

InChI=1S/C19H21N5O2S2/c1-22-11-13-23(14-12-22)28(25,26)17-9-7-15(8-10-17)18-20-21-19(27)24(18)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,21,27)