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CHEBI:43544 - 1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine

ChEBI IDCHEBI:43544
ChEBI Name1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine
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Last Modified22 February 2018
DownloadsMolfile
FormulaC25H26N4O4S
Net Charge0
Average Mass478.574
Monoisotopic Mass478.16748
SMILES[H]c1nc(N2C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C([H])([H])C2([H])[H])c([H])c(-c2c([H])c([H])c(Sc3c([H])c([H])c([H])c([H])c3OC([H])([H])C([H])([H])[H])c([N+](=O)[O-])c2[H])c1[H]
InChIInChI=1S/C25H26N4O4S/c1-3-33-22-6-4-5-7-24(22)34-23-9-8-19(16-21(23)29(31)32)20-10-11-26-25(17-20)28-14-12-27(13-15-28)18(2)30/h4-11,16-17H,3,12-15H2,1-2H3
InChIKeyGKGJFUXSTSUKPB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine (CHEBI:43544) is a C-nitro compound (CHEBI:35716)
1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine (CHEBI:43544) is a N-acylpiperazine (CHEBI:46844)
1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine (CHEBI:43544) is a N-arylpiperazine (CHEBI:46848)
1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine (CHEBI:43544) is a aminopyridine (CHEBI:38207)
1-acetyl-4-(4-{4-[(2-ethoxyphenyl)thio]-3-nitrophenyl}pyridin-2-yl)piperazine (CHEBI:43544) is a phenylpyridine (CHEBI:38193)
Synonyms  Source
1-ACETYL-4-(4-{4-[(2-ETHOXYPHENYL)THIO]-3-NITROPHENYL}PYRIDIN-2-YL)PIPERAZINEPDBeChem
1-acetyl-4-(4-{4-[(2-ethoxyphenyl)sulfanyl]-3-nitrophenyl}pyridin-2-yl)piperazinePDBeChem
Manual XrefsDatabases
L08PDBeChem