主记录
MLS001075538
- CAS
- 324060-81-3
- PubChem CID
- 135635686
- SMILES
- CCC1=C[N+](=CC=C1)C2=C(SC(=O)N2)/C=N/N=C(/C3=CC=NC=C3)\[O-]
- 分子式
- C17H15N5O2S
- 分子量
- 353.407
- 精确分子量
- 353.0946
- InChI
- InChI=1S/C17H15N5O2S/c1-2-12-4-3-9-22(11-12)15-14(25-17(24)20-15)10-19-21-16(23)13-5-7-18-8-6-13/h3-11H,2H2,1H3,(H-,18,19,20,21,23,24)
- InChIKey
- RMTWZTIAQKIXMI-UHFFFAOYSA-N
- LogP
- 0.8115
- TPSA
- 97.41
名称与别名
- MLS001075538
- C17H15N5O2S
- STL323993
- ZINC00980184
- AKOS022109418
- CID9564667
- SMR000646344
- AE-848/31938060
- (E)-4-(3-ethylpyridin-1-ium-1-yl)-5-((2-isonicotinoylhydrazono)methyl)-2-oxothiazol-3-ide
- 4-(3-ethyl-1-pyridiniumyl)-5-(2-isonicotinoylcarbohydrazonoyl)-1,3-thiazol-2-olate
- 324060-81-3
- 4-(3-ethylpyridinium-1-yl)-2-oxo-5-{(E)-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]methyl}-1,3-thiazol-3-ide