86F
Summary
| Name: | (3~{S})-1-(iminomethyl)-~{N}-pent-4-ynyl-pyrrolidine-3-carboxamide |
| Formula: | C12 H19 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 253.364 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl (3~{S})-3-(pent-4-ynylcarbamoyl)pyrrolidine-1-carboximidothioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H19N3OS/c1-3-4-5-7-14-11(16)10-6-8-15(9-10)12(13)17-2/h1,10,13H,4-9H2,2H3,(H,14,16)/b13-12-/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | WCNBRLZMISSXRP-AGKQBQDBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSC(=N)N1CC[C@@H](C1)C(=O)NCCCC#C |
| SMILES | CACTVS | 3.385 | CSC(=N)N1CC[CH](C1)C(=O)NCCCC#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(/N1CC[C@@H](C1)C(=O)NCCCC#C)\SC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CSC(=N)N1CCC(C1)C(=O)NCCCC#C |
