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CHEBI:119766 - 2-cyclopropyl-2-hydroxy-6-mercapto-3-(3-methyl-1-pyridin-1-iumyl)-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile

ChEBI IDCHEBI:119766
ChEBI Name2-cyclopropyl-2-hydroxy-6-mercapto-3-(3-methyl-1-pyridin-1-iumyl)-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile
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FormulaC21H21N4O3S
Net Charge+1
Average Mass409.491
Monoisotopic Mass409.13289
SMILESCc1ccc[n+](C2C(c3ccc([N+](=O)[O-])cc3)C(C#N)=C(S)NC2(O)C2CC2)c1
InChIInChI=1S/C21H20N4O3S/c1-13-3-2-10-24(12-13)19-18(14-4-8-16(9-5-14)25(27)28)17(11-22)20(29)23-21(19,26)15-6-7-15/h2-5,8-10,12,15,18-19,23,26H,6-7H2,1H3/p+1
InChIKeyNTWXZQUNPKISHY-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
2-cyclopropyl-2-hydroxy-6-mercapto-3-(3-methyl-1-pyridin-1-iumyl)-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile (CHEBI:119766) is a C-nitro compound (CHEBI:35716)
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