NSE
Summary
| Name: | 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile |
| Synonyms: | NS9283 |
| Formula: | C14 H8 N4 O |
| Formal charge: | 0 |
| Formula weight: | 248.24 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile |
| OpenEye OEToolkits | 1.7.6 | 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#Cc3cccc(c1nc(no1)c2cnccc2)c3 |
| InChI | InChI | 1.03 | InChI=1S/C14H8N4O/c15-8-10-3-1-4-11(7-10)14-17-13(18-19-14)12-5-2-6-16-9-12/h1-7,9H |
| InChIKey | InChI | 1.03 | HGFXDSQLRSWUBO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N#Cc1cccc(c1)c2onc(n2)c3cccnc3 |
| SMILES | CACTVS | 3.385 | N#Cc1cccc(c1)c2onc(n2)c3cccnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)c2nc(no2)c3cccnc3)C#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)c2nc(no2)c3cccnc3)C#N |
