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Molecule : OD2

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C15H12N2O2S3/c1-20-10-4-2-9(3-5-10)12-6-11-14(22-12)15(17-8-16-11)21-7-13(18)19/h2-6,8H,7H2,1H3,(H,18,19)
2	InChIKey	InChI	1.03	KJCQGDBVLKOAHP-UHFFFAOYSA-N
3	SMILES	CACTVS	3.385	CSc1ccc(cc1)c2sc3c(SCC(O)=O)ncnc3c2
4	SMILES	OpenEye OEToolkits	2.0.7	CSc1ccc(cc1)c2cc3c(s2)c(ncn3)SCC(=O)O
5	Canonical SMILES	CACTVS	3.385	CSc1ccc(cc1)c2sc3c(SCC(O)=O)ncnc3c2
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	CSc1ccc(cc1)c2cc3c(s2)c(ncn3)SCC(=O)O