A1CVA
Summary
| Name: | N-[3-(trifluoromethyl)phenyl]hydrazinecarbothioamide |
| Formula: | C8 H8 F3 N3 S |
| Formal charge: | 0 |
| Formula weight: | 235.229 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[3-(trifluoromethyl)phenyl]hydrazinecarbothioamide |
| OpenEye OEToolkits | 3.1.0.0 | 1-azanyl-3-[3-(trifluoromethyl)phenyl]thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | S=C(Nc1cc(ccc1)C(F)(F)F)NN |
| InChI | InChI | 1.06 | InChI=1S/C8H8F3N3S/c9-8(10,11)5-2-1-3-6(4-5)13-7(15)14-12/h1-4H,12H2,(H2,13,14,15) |
| InChIKey | InChI | 1.06 | KDDAUQBQXBHUPJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NNC(=S)Nc1cccc(c1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | NNC(=S)Nc1cccc(c1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)NC(=S)NN)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)NC(=S)NN)C(F)(F)F |
