N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(2-pyrimidylthio)acetamide Formula: C16H16N4OS2 MolecularWeight: 344.45444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C16H16N4OS2/c17-9-12-11-5-2-1-3-6-13(11)23-15(12)20-14(21)10-22-16-18-7-4-8-19-16/h4,7-8H,1-3,5-6,10H2,(H,20,21)