N-(1-adamantyl)-3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxamide

Systemtic Name: N-(1-adamantyl)-3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxamide Openeye Name: N-(1-adamantyl)-3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxamide CAS Name: N-(1-adamantyl)-3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxamide IUPAC Name: N-(1-adamantyl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide Traditional Name: N-(1-adamantyl)-3-cyano-6-cyclopropyl-2-(methylthio)isonicotinamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)C#N

Isomeric SMILES

CSC1=C(C(=CC(=N1)C2CC2)C(=O)NC34CC5CC(C3)CC(C5)C4)C#N

InChI

InChI=1S/C21H25N3OS/c1-26-20-17(11-22)16(7-18(23-20)15-2-3-15)19(25)24-21-8-12-4-13(9-21)6-14(5-12)10-21/h7,12-15H,2-6,8-10H2,1H3,(H,24,25)