LF5
4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
Created: | 2019-08-10 |
Last modified: | 2020-06-17 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 31 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide |
Systematic Name (OpenEye OEToolkits) | 4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide |
Formula | C12 H13 Cl N2 O S |
Molecular Weight | 268.762 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC(C)Oc1ccc(Cl)c2cc(sc12)C(N)=N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc(c2c1sc(c2)C(=N)N)Cl |
Canonical SMILES | CACTVS | 3.385 | CC(C)Oc1ccc(Cl)c2cc(sc12)C(N)=N |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/c1cc2c(ccc(c2s1)OC(C)C)Cl)\N |
InChI | InChI | 1.03 | InChI=1S/C12H13ClN2OS/c1-6(2)16-9-4-3-8(13)7-5-10(12(14)15)17-11(7)9/h3-6H,1-2H3,(H3,14,15) |
InChIKey | InChI | 1.03 | RFZOPKHHJPMIJW-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 146170575 |