A1CV4
Summary
| Name: | N-(2,4-difluorophenyl)hydrazinecarbothioamide |
| Formula: | C7 H7 F2 N3 S |
| Formal charge: | 0 |
| Formula weight: | 203.212 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(2,4-difluorophenyl)hydrazinecarbothioamide |
| OpenEye OEToolkits | 3.1.0.0 | 1-azanyl-3-[2,4-bis(fluoranyl)phenyl]thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | S=C(Nc1ccc(F)cc1F)NN |
| InChI | InChI | 1.06 | InChI=1S/C7H7F2N3S/c8-4-1-2-6(5(9)3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13) |
| InChIKey | InChI | 1.06 | RNPFEUCQZZXGCF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NNC(=S)Nc1ccc(F)cc1F |
| SMILES | CACTVS | 3.385 | NNC(=S)Nc1ccc(F)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1F)F)NC(=S)NN |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1F)F)NC(=S)NN |
