N-(10-cyano-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(10-cyano-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(10-cyano-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(10-cyano-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(10-cyano-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(10-cyano-1,2,3,4,5,6,7,8-octahydrophenanthren-9-yl)-2-(2-pyrimidylthio)acetamide Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C(=C3CCCCC3=C2C1)NC(=O)CSC4=NC=CC=N4)C#N

Isomeric SMILES

C1CCC2=C(C(=C3CCCCC3=C2C1)NC(=O)CSC4=NC=CC=N4)C#N

InChI

InChI=1S/C21H22N4OS/c22-12-18-16-8-2-1-6-14(16)15-7-3-4-9-17(15)20(18)25-19(26)13-27-21-23-10-5-11-24-21/h5,10-11H,1-4,6-9,13H2,(H,25,26)