N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-(2-pyrimidylthio)acetamide Formula: C17H18N4OS2 MolecularWeight: 358.48102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H18N4OS2/c1-2-11-4-5-12-13(9-18)16(24-14(12)8-11)21-15(22)10-23-17-19-6-3-7-20-17/h3,6-7,11H,2,4-5,8,10H2,1H3,(H,21,22)/t11-/m1/s1