A1BVY
Summary
| Name: | 1-phenyl-1H-tetrazole |
| Formula: | C7 H6 N4 |
| Formal charge: | 0 |
| Formula weight: | 146.149 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-phenyl-1H-tetrazole |
| OpenEye OEToolkits | 3.1.0.0 | 1-phenyl-1,2,3,4-tetrazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | c1ccc(cc1)n1cnnn1 |
| InChI | InChI | 1.06 | InChI=1S/C7H6N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h1-6H |
| InChIKey | InChI | 1.06 | IYPXPGSELZFFMI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | c1ccc(cc1)n2cnnn2 |
| SMILES | CACTVS | 3.385 | c1ccc(cc1)n2cnnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)n2cnnn2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)n2cnnn2 |
