N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-(2-pyrimidinylthio)propanamide IUPAC Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-(2-pyrimidylthio)propionamide Formula: C20H16N4OS2 MolecularWeight: 392.49724

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2C#N)NC(=O)CCSC4=NC=CC=N4

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2C#N)NC(=O)CCSC4=NC=CC=N4

InChI

InChI=1S/C20H16N4OS2/c21-12-16-15-7-6-13-4-1-2-5-14(13)18(15)27-19(16)24-17(25)8-11-26-20-22-9-3-10-23-20/h1-5,9-10H,6-8,11H2,(H,24,25)