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

Systemtic Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-pyridin-2-ylsulfanyl-propanamide Openeye Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-(2-pyridylsulfanyl)propanamide CAS Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-(2-pyridinylthio)propanamide IUPAC Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-pyridin-2-ylsulfanylpropanamide Traditional Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-(2-pyridylthio)propionamide Formula: C21H17N3OS2 MolecularWeight: 391.50918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3OS2/c22-13-17-16-9-8-14-5-1-2-6-15(14)20(16)27-21(17)24-18(25)10-12-26-19-7-3-4-11-23-19/h1-7,11H,8-10,12H2,(H,24,25)