RCW
Summary
| Name: | 4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline |
| Synonyms: | MMG-0752 |
| Formula: | C8 H7 Br N4 |
| Formal charge: | 0 |
| Formula weight: | 239.072 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H7BrN4/c9-5-1-2-7(10)6(3-5)8-11-4-12-13-8/h1-4H,10H2,(H,11,12,13) |
| InChIKey | InChI | 1.03 | OCWUWXKYIUUICS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(Br)cc1c2[nH]cnn2 |
| SMILES | CACTVS | 3.385 | Nc1ccc(Br)cc1c2[nH]cnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Br)c2[nH]cnn2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1Br)c2[nH]cnn2)N |
