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

Systemtic Name: 3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C22H24N6O4S/c29-20(26-14-12-25(13-15-26)18-6-8-19(9-7-18)28(31)32)16-33-22-24-23-21(30)27(22)11-10-17-4-2-1-3-5-17/h1-9H,10-16H2,(H,23,30)