KTW
Summary
Name: | 4-chloranyl-1-benzothiophene-2-carboximidamide |
Formula: | C9 H7 Cl N2 S |
Formal charge: | 0 |
Formula weight: | 210.683 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 4-chloranyl-1-benzothiophene-2-carboximidamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C9H7ClN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12) |
InChIKey | InChI | 1.03 | AUJLCQAASPMATD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)c1sc2cccc(Cl)c2c1 |
SMILES | CACTVS | 3.385 | NC(=N)c1sc2cccc(Cl)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\c1cc2c(s1)cccc2Cl)/N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc(s2)C(=N)N)c(c1)Cl |