N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(2-pyrimidylthio)acetamide Formula: C19H22N4OS2 MolecularWeight: 386.53418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H22N4OS2/c1-19(2,3)12-5-6-13-14(10-20)17(26-15(13)9-12)23-16(24)11-25-18-21-7-4-8-22-18/h4,7-8,12H,5-6,9,11H2,1-3H3,(H,23,24)