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

Systemtic Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazino]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2S2/c1-17-8-9-20(18(2)14-17)30(27,28)24-12-10-23(11-13-24)16-26-21(29)25(15-22-26)19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3