2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-(2-furyl)ethyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[(1R)-1-(2-furanyl)ethyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-(furan-2-yl)ethyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[(1R)-1-(2-furyl)ethyl]acetamide Formula: C15H14N5O2S+ MolecularWeight: 328.36896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CO1)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C1=CC=CO1)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C15H13N5O2S/c1-9(12-3-2-4-22-12)19-13(21)8-23-15-11(7-17)5-10(6-16)14(18)20-15/h2-5,9H,8H2,1H3,(H2,18,20)(H,19,21)/p+1/t9-/m1/s1