N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(2-pyrimidinylthio)propanamide IUPAC Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(2-pyrimidylthio)propionamide Formula: C22H20N4OS2 MolecularWeight: 420.5504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)CCSC4=NC=CC=N4

Isomeric SMILES

C1CC2=C(CC1C3=CC=CC=C3)SC(=C2C#N)NC(=O)CCSC4=NC=CC=N4

InChI

InChI=1S/C22H20N4OS2/c23-14-18-17-8-7-16(15-5-2-1-3-6-15)13-19(17)29-21(18)26-20(27)9-12-28-22-24-10-4-11-25-22/h1-6,10-11,16H,7-9,12-13H2,(H,26,27)