2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-(4-mesylpiperazino)-2-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S2/c1-17-8-10-19(11-9-17)27-21(18-6-4-3-5-7-18)23-24-22(27)31-16-20(28)25-12-14-26(15-13-25)32(2,29)30/h3-11H,12-16H2,1-2H3