MDL | MFCD03075035 |
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InChIKey | AZBAQHIVVLQMFX-UHFFFAOYSA-N |
Inchi | InChI=1S/C12H14N2S/c1-7-4-5-10(8(2)6-7)11-9(3)15-12(13)14-11/h4-6H,1-3H3,(H2,13,14) |
SMILES | CC1=CC(=C(C=C1)C2=C(C)SC(=N)N2)C |
氢键供体数量 | 2 |
---|---|
氢键受体数量 | 2 |
可旋转化学键数量 | 1 |
重原子数量 | 15 |
HazardClass | IRRITANT |
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SMILES:CC1=CC(C)=C(C=C1)C2=C(C)SC(N)=N2
ExSMILES:218.08792
InChI:
InChIKey:
IUPACName:
分子式:FormulaHtmlC12H14N2S