O9G
2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide
Created: | 2019-06-19 |
Last modified: | 2020-04-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 41 |
Chiral Atom Count | 0 |
Bond Count | 43 |
Aromatic Bond Count | 17 |
Chemical Component Summary | |
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Name | 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide |
Systematic Name (OpenEye OEToolkits) | 2-fluoranyl-3-methyl-~{N}'-(phenylsulfonyl)-5-pyrazol-1-yl-benzohydrazide |
Formula | C17 H15 F N4 O3 S |
Molecular Weight | 374.389 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c3n(c1cc(c(c(C)c1)F)C(=O)NNS(c2ccccc2)(=O)=O)ncc3 |
SMILES | CACTVS | 3.385 | Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)n3cccn3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3cccn3 |
Canonical SMILES | CACTVS | 3.385 | Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)n3cccn3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3cccn3 |
InChI | InChI | 1.03 | InChI=1S/C17H15FN4O3S/c1-12-10-13(22-9-5-8-19-22)11-15(16(12)18)17(23)20-21-26(24,25)14-6-3-2-4-7-14/h2-11,21H,1H3,(H,20,23) |
InChIKey | InChI | 1.03 | HKELVRVKFVSBKX-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 135298636 |