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PDBeChem : Molecule Descriptors
Molecule : ZSS
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C9H11ClN2S/c1-6(13-9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H3,11,12)/t6-/m1/s1 |
2 |
InChIKey
|
InChI |
1.03 |
LMPMLIXDHLWEBJ-ZCFIWIBFSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
Clc1ccc(cc1)C(C)SC(=N)N |
4 |
SMILES
|
CACTVS |
3.385 |
C[CH](SC(N)=N)c1ccc(Cl)cc1 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CC(c1ccc(cc1)Cl)SC(=N)N |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
C[C@@H](SC(N)=N)c1ccc(Cl)cc1 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
[H]/N=C(/N)\S[C@H](C)c1ccc(cc1)Cl |
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