VWF
Summary
| Name: | 1H-benzotriazole-5-carbonitrile |
| Synonyms: | 5-cyanobenzotriazole |
| Formula: | C7 H4 N4 |
| Formal charge: | 0 |
| Formula weight: | 144.133 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1~{H}-benzotriazole-5-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H4N4/c8-4-5-1-2-6-7(3-5)10-11-9-6/h1-3H,(H,9,10,11) |
| InChIKey | InChI | 1.06 | OEBMOZBCDOBXAN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1ccc2[nH]nnc2c1 |
| SMILES | CACTVS | 3.385 | N#Cc1ccc2[nH]nnc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C#N)nn[nH]2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1C#N)nn[nH]2 |
