32A
Summary
| Name: | 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide |
| Formula: | C13 H17 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 279.358 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(5-hex-1-yn-1-ylfuran-2-yl)carbonyl]-N-methylhydrazinecarbothioamide |
| OpenEye OEToolkits | 1.5.0 | 1-[(5-hex-1-ynylfuran-2-yl)carbonylamino]-3-methyl-thiourea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1oc(C#CCCCC)cc1)NNC(=S)NC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC#Cc1oc(cc1)C(=O)NNC(=S)NC |
| SMILES | CACTVS | 3.341 | CCCCC#Cc1oc(cc1)C(=O)NNC(=S)NC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCC#Cc1ccc(o1)C(=O)NNC(=S)NC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCC#Cc1ccc(o1)C(=O)NNC(=S)NC |
| InChI | InChI | 1.03 | InChI=1S/C13H17N3O2S/c1-3-4-5-6-7-10-8-9-11(18-10)12(17)15-16-13(19)14-2/h8-9H,3-5H2,1-2H3,(H,15,17)(H2,14,16,19) |
| InChIKey | InChI | 1.03 | CUKZXTKQBXLMDO-UHFFFAOYSA-N |
