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PDBeChem : Molecule Descriptors
Molecule : SN4
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C7H8N2OS/c1-10-6-3-2-5(4-9-6)7(8)11/h2-4H,1H3,(H2,8,11) |
2 |
InChIKey
|
InChI |
1.03 |
YAKXWVMVPOHRGZ-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
COc1ccc(cn1)C(N)=S |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
COc1ccc(cn1)C(=S)N |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
COc1ccc(cn1)C(N)=S |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
COc1ccc(cn1)C(=S)N |
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