Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H12Cl3N3O2S/c1-10-3-2-4-24-16(10)25(9-14-8-23-19(22)28-14)18(27)15(17(24)26)11-5-12(20)7-13(21)6-11/h2-8H,9H2,1H3 |
InChIKey | InChI | 1.03 | PVDQXPBKBSCNJZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=CC=CN2C(=O)C(=C([O-])[N+](=C12)Cc3sc(Cl)nc3)c4cc(Cl)cc(Cl)c4 |
SMILES | CACTVS | 3.385 | CC1=CC=CN2C(=O)C(=C([O-])[N+](=C12)Cc3sc(Cl)nc3)c4cc(Cl)cc(Cl)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=CC=CN2C1=[N+](C(=C(C2=O)c3cc(cc(c3)Cl)Cl)[O-])Cc4cnc(s4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC=CN2C1=[N+](C(=C(C2=O)c3cc(cc(c3)Cl)Cl)[O-])Cc4cnc(s4)Cl |