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FCV

概要
表記:3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide
組成式:C18 H13 F2 N3 O3 S
電荷:0
化学式量:389.376 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.013-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide
OpenEye OEToolkits2.0.63-fluoranyl-~{N}'-(2-fluorophenyl)sulfonyl-5-pyridin-2-yl-benzohydrazide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01c3ccnc(c2cc(C(=O)NNS(c1ccccc1F)(=O)=O)cc(c2)F)c3
InChIInChI1.03InChI=1S/C18H13F2N3O3S/c19-14-10-12(16-6-3-4-8-21-16)9-13(11-14)18(24)22-23-27(25,26)17-7-2-1-5-15(17)20/h1-11,23H,(H,22,24)
InChIKeyInChI1.03QLXULUNLCRKWRD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cc(cc(c1)c2ccccn2)C(=O)NN[S](=O)(=O)c3ccccc3F
SMILESCACTVS3.385Fc1cc(cc(c1)c2ccccn2)C(=O)NN[S](=O)(=O)c3ccccc3F
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cc(cc(c2)F)c3ccccn3
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cc(cc(c2)F)c3ccccn3

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件を2024-07-17に公開中

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