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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S2/c1-32(29,30)26-14-12-25(13-15-26)21(28)17-31-22-24-23-20(16-18-8-4-2-5-9-18)27(22)19-10-6-3-7-11-19/h2-11H,12-17H2,1H3