817
Summary
| Name: | 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}-3-TRIFLUOROMETHYL-BENZENE |
| Synonyms: | 3-(TRIFLUOROMETHYL)BENZYL N-[(E)-AMINO(IMINO)METHYL]IMIDOTHIOCARBAMATE |
| Formula: | C10 H11 F3 N4 S |
| Formal charge: | 0 |
| Formula weight: | 276.281 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(trifluoromethyl)benzyl N-carbamimidoylimidothiocarbamate |
| OpenEye OEToolkits | 1.5.0 | N-carbamimidoyl-1-[[3-(trifluoromethyl)phenyl]methylsulfanyl]methanimidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC(F)(F)c1cccc(c1)CSC(=[N@H])NC(=[N@H])N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)NC(=N)SCc1cccc(c1)C(F)(F)F |
| SMILES | CACTVS | 3.341 | NC(=N)NC(=N)SCc1cccc(c1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\N)/N/C(=N/[H])/SCc1cccc(c1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)NC(=N[H])SCc1cccc(c1)C(F)(F)F |
| InChI | InChI | 1.03 | InChI=1S/C10H11F3N4S/c11-10(12,13)7-3-1-2-6(4-7)5-18-9(16)17-8(14)15/h1-4H,5H2,(H5,14,15,16,17) |
| InChIKey | InChI | 1.03 | DWJNPCRXBNWCJC-UHFFFAOYSA-N |
