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

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count31
Aromatic Bond Count10
2D diagram of LF5

Chemical Component Summary

Name4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
Systematic Name (OpenEye OEToolkits)4-chloranyl-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
FormulaC12 H13 Cl N2 O S
Molecular Weight268.762
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(C)Oc1ccc(Cl)c2cc(sc12)C(N)=N
SMILESOpenEye OEToolkits2.0.7CC(C)Oc1ccc(c2c1sc(c2)C(=N)N)Cl
Canonical SMILESCACTVS3.385 CC(C)Oc1ccc(Cl)c2cc(sc12)C(N)=N
Canonical SMILESOpenEye OEToolkits2.0.7 [H]/N=C(/c1cc2c(ccc(c2s1)OC(C)C)Cl)\N
InChIInChI1.03 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)
InChIKeyInChI1.03 RFZOPKHHJPMIJW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 146170575