(2R)-2-(6-azanyl-3,5-dicyano-4-ethyl-pyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-4-ethyl-pyridin-1-ium-2-yl)sulfanyl-2-phenyl-ethanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-4-ethyl-pyridin-1-ium-2-yl)sulfanyl-2-phenyl-acetamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-4-ethyl-2-pyridin-1-iumyl)thio]-2-phenylacetamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyano-4-ethylpyridin-1-ium-2-yl)sulfanyl-2-phenylacetamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-4-ethyl-pyridin-1-ium-2-yl)thio]-2-phenyl-acetamide Formula: C17H16N5OS+ MolecularWeight: 338.40684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[NH+]C(=C1C#N)SC(C2=CC=CC=C2)C(=O)N)N)C#N

Isomeric SMILES

CCC1=C(C(=[NH+]C(=C1C#N)S[C@H](C2=CC=CC=C2)C(=O)N)N)C#N

InChI

InChI=1S/C17H15N5OS/c1-2-11-12(8-18)15(20)22-17(13(11)9-19)24-14(16(21)23)10-6-4-3-5-7-10/h3-7,14H,2H2,1H3,(H2,20,22)(H2,21,23)/p+1/t14-/m1/s1