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Molecule : 7IC

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C21H18N2O2S/c1-14-9-10-16-18(12-14)22-21(15-6-3-2-4-7-15)20(16)17(13-23(24)25)19-8-5-11-26-19/h2-12,17,22H,13H2,1H3/t17-/m0/s1
2	InChIKey	InChI	1.03	RJSPNRDBWHHFMH-KRWDZBQOSA-N
3	SMILES	CACTVS	3.385	Cc1ccc2c([nH]c(c3ccccc3)c2[CH](C[N+]([O-])=O)c4sccc4)c1
4	SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c1)[nH]c(c2C(C[N+](=O)[O-])c3cccs3)c4ccccc4
5	Canonical SMILES	CACTVS	3.385	Cc1ccc2c([nH]c(c3ccccc3)c2[C@@H](C[N+]([O-])=O)c4sccc4)c1
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc2c(c1)[nH]c(c2[C@@H](C[N+](=O)[O-])c3cccs3)c4ccccc4