YIE
Summary
Name: | 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene |
Formula: | C8 H6 Cl N4 |
Formal charge: | -1 |
Formula weight: | 193.613 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.7.6 | 5-[(4-chlorophenyl)methyl]-1,2,3-triaza-4-azanidacyclopenta-2,5-diene |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C8H6ClN4/c9-7-3-1-6(2-4-7)5-8-10-12-13-11-8/h1-4H,5H2/q-1 |
InChIKey | InChI | 1.03 | OWOYHKRGEMFARF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(Cc2[n-]nnn2)cc1 |
SMILES | CACTVS | 3.385 | Clc1ccc(Cc2[n-]nnn2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1Cc2[n-]nnn2)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1Cc2[n-]nnn2)Cl |