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

Systemtic Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-(p-tolylthio)propionamide Formula: C23H20N2OS2 MolecularWeight: 404.5477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C#N

InChI

InChI=1S/C23H20N2OS2/c1-15-6-9-17(10-7-15)27-13-12-21(26)25-23-20(14-24)19-11-8-16-4-2-3-5-18(16)22(19)28-23/h2-7,9-10H,8,11-13H2,1H3,(H,25,26)