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

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 4-phenyl-2-[[4-(p-tolylsulfonyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-phenyl-2-[(4-tosylpiperazino)methyl]-1,2,4-triazole-3-thione Formula: C20H23N5O2S2 MolecularWeight: 429.55892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C(=S)N(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N5O2S2/c1-17-7-9-19(10-8-17)29(26,27)23-13-11-22(12-14-23)16-25-20(28)24(15-21-25)18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3