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 |