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Molecule : 556

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C10H10N2S/c1-4-10-11-7-8(12(10)5-1)9-3-2-6-13-9/h2-3,6-7H,1,4-5H2
2	InChIKey	InChI	1.03	LYZIBEKPTIUDDV-UHFFFAOYSA-N
3	SMILES	ACDLabs	12.01	n1cc(n2c1CCC2)c3sccc3
4	SMILES	CACTVS	3.385	C1Cn2c(C1)ncc2c3sccc3
5	SMILES	OpenEye OEToolkits	1.7.6	c1cc(sc1)c2cnc3n2CCC3
6	Canonical SMILES	CACTVS	3.385	C1Cn2c(C1)ncc2c3sccc3
7	Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(sc1)c2cnc3n2CCC3