VWR
Summary
| Name: | 1-ethyl-N-[(thiophen-2-yl)methyl]-1H-tetrazol-5-amine |
| Formula: | C8 H11 N5 S |
| Formal charge: | 0 |
| Formula weight: | 209.271 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-ethyl-N-[(thiophen-2-yl)methyl]-1H-tetrazol-5-amine |
| OpenEye OEToolkits | 2.0.7 | 1-ethyl-~{N}-(thiophen-2-ylmethyl)-1,2,3,4-tetrazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCn1nnnc1NCc1cccs1 |
| InChI | InChI | 1.06 | InChI=1S/C8H11N5S/c1-2-13-8(10-11-12-13)9-6-7-4-3-5-14-7/h3-5H,2,6H2,1H3,(H,9,10,12) |
| InChIKey | InChI | 1.06 | BKBWXQIEMQPRQD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCn1nnnc1NCc2sccc2 |
| SMILES | CACTVS | 3.385 | CCn1nnnc1NCc2sccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCn1c(nnn1)NCc2cccs2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCn1c(nnn1)NCc2cccs2 |
