| Properties | Image |
MNX_ID | MNXM41627 |
 |
reference | keggD:D02586 |
formula | C17H12Cl3N3O |
global charge | 0 |
mol weight | 380.662 |
InChIKey | HUSJLAKLJPOCEL-IRXDYDNUSA-N |
InChI | InChI=1S/C17H12Cl3N3O/c18-12-3-1-11(2-4-12)17(8-23-10-21-9-22-23)16(24-17)14-6-5-13(19)7-15(14)20/h1-7,9-10,16H,8H2/t16-,17-/m0/s1 |
SMILES | ClC1=CC=C([C@]2(CN3C=NC=N3)O[C@H]2C2=CC=C(Cl)C=C2Cl)C=C1 |
MNX internals
InChI (mnx) | InChI=1/C17H12Cl3N3O/c18-12-3-1-11(2-4-12)17(8-23-10-21-9-22-23)16(24-17)14-6-5-13(19)7-15(14)20/h1-7,9-10,16H,8H2/t16-,17-/m0/s1 |
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SMILES (mnx) | [CH:1]1=[CH:3][C:12]([Cl:18])=[CH:4][CH:2]=[C:11]1[C@@:17]1([CH2:8][N:23]2[CH:10]=[N:21][CH:9]=[N:22]2)[C@H:16]([C:14]2=[C:15]([Cl:20])[CH:7]=[C:13]([Cl:19])[CH:5]=[CH:6]2)[O:24]1 |
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