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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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