N-(1-adamantylmethyl)-2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-(6-azanyl-3,5-dicyano-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[(6-amino-3,5-dicyano-2-pyridyl)sulfanyl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-(6-amino-3,5-dicyanopyridin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantylmethyl)-2-[(6-amino-3,5-dicyano-2-pyridyl)thio]acetamide Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)CSC4=C(C=C(C(=N4)N)C#N)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)CSC4=C(C=C(C(=N4)N)C#N)C#N

InChI

InChI=1S/C20H23N5OS/c21-8-15-4-16(9-22)19(25-18(15)23)27-10-17(26)24-11-20-5-12-1-13(6-20)3-14(2-12)7-20/h4,12-14H,1-3,5-7,10-11H2,(H2,23,25)(H,24,26)