Structure details of probe (R)-9s and control (S)-9s

	(R)-9s	(S)-9s
IUPAC name	5-chloro-1-[(1R)-1-(3-cyanophenyl)ethyl]-2-imino-pyridine-3-carboxamide	5-chloro-1-[(1S)-1-(3-cyanophenyl)ethyl]-2-imino-pyridine-3-carboxamide
Molecular weight	300.1 g/mol	300.1 g/mol
SMILES	C[C@H](c1cccc(C#N)c1)N1C=C(C=C(C1=N)C(N)=O)[Cl]	C[C@@H](c1cccc(C#N)c1)N1C=C(C=C(C1=N)C(N)=O)[Cl]
InChi	InChI=1S/C15H13ClN4O/c1-9(11-4-2-3-10(5-11)7-17)20-8-12(16)6-13(14(20)18)15(19)21/h2-6,8-9,18H,1H3,(H2,19,21)/t9-/m1/s1	InChI=1S/C15H13ClN4O/c1-9(11-4-2-3-10(5-11)7-17)20-8-12(16)6-13(14(20)18)15(19)21/h2-6,8-9,18H,1H3,(H2,19,21)/t9-/m0/s1
InChi key	CDJPHTNUARAVMH-SECBINFHSA-N	CDJPHTNUARAVMH-VIFPVBQESA-N
Molecular formular	C15H13ClN4O	C15H13ClN4O
Number of chiral centres	1	1
Number of rotational bonds	4	4
Number of hydrogen bond acceptors	4	4
Number of hydrogen bond donors	4	4
	Download sdf file	Download sdf file