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

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H19N5O3S3 MolecularWeight: 449.57016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NNC(=N2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NNC(=N2)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H19N5O3S3/c24-16(13-28-18-19-17(20-21-18)15-7-4-12-27-15)22-8-10-23(11-9-22)29(25,26)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,19,20,21)