YIP
Summary
Name: | 5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene |
Formula: | C8 H6 Cl N4 O |
Formal charge: | -1 |
Formula weight: | 209.612 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.7.6 | 5-[(3-chloranylphenoxy)methyl]-1,2,4-triaza-3-azanidacyclopenta-1,4-diene |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C8H6ClN4O/c9-6-2-1-3-7(4-6)14-5-8-10-12-13-11-8/h1-4H,5H2/q-1 |
InChIKey | InChI | 1.03 | YMQZGHUJRRCFAM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1cccc(OCc2n[n-]nn2)c1 |
SMILES | CACTVS | 3.385 | Clc1cccc(OCc2n[n-]nn2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)OCc2n[n-]nn2 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)Cl)OCc2n[n-]nn2 |