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

Systemtic Name: 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C22H24FN5O2S MolecularWeight: 441.521663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C22H24FN5O2S/c23-18-6-8-19(9-7-18)26-12-14-27(15-13-26)20(29)16-31-22-25-24-21(30)28(22)11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,24,30)