N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxamide

Systemtic Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxamide Openeye Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carboxamide CAS Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinecarboxamide IUPAC Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxamide Traditional Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-3-cyano-6-cyclopropyl-2-(methylthio)isonicotinamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=NC(=C3C#N)SC)C4CC4

Isomeric SMILES

CC(C)(C)C1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=NC(=C3C#N)SC)C4CC4

InChI

InChI=1S/C22H22N4O2S/c1-22(2,3)21-26-17-9-13(7-8-18(17)28-21)24-19(27)14-10-16(12-5-6-12)25-20(29-4)15(14)11-23/h7-10,12H,5-6H2,1-4H3,(H,24,27)