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

Systemtic Name: (2S)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide Openeye Name: (2S)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide CAS Name: (2S)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(4-ethylphenyl)propanamide IUPAC Name: (2S)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide Traditional Name: (2S)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(4-ethylphenyl)propionamide Formula: C18H18N5OS+ MolecularWeight: 352.43342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C18H17N5OS/c1-3-12-4-6-15(7-5-12)22-17(24)11(2)25-18-14(10-20)8-13(9-19)16(21)23-18/h4-8,11H,3H2,1-2H3,(H2,21,23)(H,22,24)/p+1/t11-/m0/s1