3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-besylpiperazino)-2-keto-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C22H25N5O4S2 MolecularWeight: 487.595

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O4S2/c28-20(25-13-15-26(16-14-25)33(30,31)19-9-5-2-6-10-19)17-32-22-24-23-21(29)27(22)12-11-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,23,29)