3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)propanamide

Systemtic Name: 3-(6-butyl-3-cyano-pyridin-2-yl)sulfanyl-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)propanamide Openeye Name: 3-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]-N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)propanamide CAS Name: 3-[(6-butyl-3-cyano-2-pyridinyl)thio]-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)propanamide IUPAC Name: 3-(6-butyl-3-cyanopyridin-2-yl)sulfanyl-N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)propanamide Traditional Name: 3-[(6-butyl-3-cyano-2-pyridyl)thio]-N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)propionamide Formula: C26H24N4OS2 MolecularWeight: 472.62496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C#N

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCCC(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C#N

InChI

InChI=1S/C26H24N4OS2/c1-2-3-7-19-11-9-18(15-27)25(29-19)32-14-13-23(31)30-26-22(16-28)21-12-10-17-6-4-5-8-20(17)24(21)33-26/h4-6,8-9,11H,2-3,7,10,12-14H2,1H3,(H,30,31)