(2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(4-bromophenyl)propanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(4-bromophenyl)propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(4-bromophenyl)propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(4-bromophenyl)propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-bromophenyl)propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(4-bromophenyl)propionamide Formula: C16H13BrN5OS+ MolecularWeight: 403.27632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Br)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C16H12BrN5OS/c1-9(15(23)21-13-4-2-12(17)3-5-13)24-16-11(8-19)6-10(7-18)14(20)22-16/h2-6,9H,1H3,(H2,20,22)(H,21,23)/p+1/t9-/m1/s1