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PDBeChem : Molecule Descriptors
Molecule : 8DS
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.06 |
InChI=1S/C16H12Cl2N2OS/c17-11-3-1-10(2-4-11)5-6-20-16(21)14-7-12-13(18)8-19-9-15(12)22-14/h1-4,7-9H,5-6H2,(H,20,21) |
2 |
InChIKey
|
InChI |
1.06 |
QRJZINDCUNBUGT-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
Clc1ccc(CCNC(=O)c2sc3cncc(Cl)c3c2)cc1 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1CCNC(=O)c2cc3c(s2)cncc3Cl)Cl |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
Clc1ccc(CCNC(=O)c2sc3cncc(Cl)c3c2)cc1 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1CCNC(=O)c2cc3c(s2)cncc3Cl)Cl |
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