U5Z
Summary
Name: | 1-[(4-fluorophenyl)amino]thiourea |
Formula: | C7 H8 F N3 S |
Formal charge: | 0 |
Formula weight: | 185.222 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 1-[(4-fluorophenyl)amino]thiourea |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C7H8FN3S/c8-5-1-3-6(4-2-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12) |
InChIKey | InChI | 1.03 | KQNHAXWTVPXGMP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | NC(=S)NNc1ccc(F)cc1 |
SMILES | CACTVS | 3.385 | NC(=S)NNc1ccc(F)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NNC(=S)N)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NNC(=S)N)F |