2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C23H25N5O3S2 MolecularWeight: 483.6063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H25N5O3S2/c29-21(26-13-15-27(16-14-26)33(30,31)20-9-5-2-6-10-20)17-32-23-25-24-22(18-11-12-18)28(23)19-7-3-1-4-8-19/h1-10,18H,11-17H2