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

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H24N6O3S/c1-2-27-21(17-6-4-3-5-7-17)23-24-22(27)32-16-20(29)26-14-12-25(13-15-26)18-8-10-19(11-9-18)28(30)31/h3-11H,2,12-16H2,1H3