D26
Summary
Name: | PHENYL-5-(1H-PYRAZOL-3-YL)-1,3-THIAZOLE |
Formula: | C12 H9 N3 S |
Formal charge: | 0 |
Formula weight: | 227.285 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole |
OpenEye OEToolkits | 1.5.0 | 2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | n1cc(sc1c2ccccc2)c3nncc3 |
SMILES_CANONICAL | CACTVS | 3.341 | [nH]1ccc(n1)c2sc(nc2)c3ccccc3 |
SMILES | CACTVS | 3.341 | [nH]1ccc(n1)c2sc(nc2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2ncc(s2)c3cc[nH]n3 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)c2ncc(s2)c3cc[nH]n3 |
InChI | InChI | 1.03 | InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15) |
InChIKey | InChI | 1.03 | NRAHRUHGPGBWSI-UHFFFAOYSA-N |