N-[(3R)-3-cyano-3,3a,4,5,6,7-hexahydro-1-benzothiophen-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3R)-3-cyano-3,3a,4,5,6,7-hexahydro-1-benzothiophen-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(3R)-3-cyano-3,3a,4,5,6,7-hexahydrobenzothiophen-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(3R)-3-cyano-3,3a,4,5,6,7-hexahydro-1-benzothiophen-2-yl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(3R)-3-cyano-3,3a,4,5,6,7-hexahydro-1-benzothiophen-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(3R)-3-cyano-3,3a,4,5,6,7-hexahydrobenzothiophen-2-yl]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C17H20N4OS2 MolecularWeight: 360.4969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=S=C3CCCCC3C2C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=S=C3CCCCC3[C@@H]2C#N)C

InChI

InChI=1S/C17H20N4OS2/c1-10-7-11(2)20-17(19-10)23-9-15(22)21-16-13(8-18)12-5-3-4-6-14(12)24-16/h7,12-13H,3-6,9H2,1-2H3,(H,21,22)/t12?,13-/m0/s1