2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]ethanamide Openeye Name: 2-[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridin-1-iumyl)thio]-N-[(1R)-1-phenylethyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-thienyl)pyridin-1-ium-2-yl]thio]-N-[(1R)-1-phenylethyl]acetamide Formula: C21H18N5OS2+ MolecularWeight: 420.53052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CSC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CS3)C#N

InChI

InChI=1S/C21H17N5OS2/c1-13(14-6-3-2-4-7-14)25-18(27)12-29-21-16(11-23)19(17-8-5-9-28-17)15(10-22)20(24)26-21/h2-9,13H,12H2,1H3,(H2,24,26)(H,25,27)/p+1/t13-/m1/s1