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

Systemtic Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-[(4,6-dimethyl-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-[(4,6-dimethylpyrimidin-2-yl)thio]propionamide Formula: C22H20N4OS2 MolecularWeight: 420.5504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCC(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCC(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C#N)C

InChI

InChI=1S/C22H20N4OS2/c1-13-11-14(2)25-22(24-13)28-10-9-19(27)26-21-18(12-23)17-8-7-15-5-3-4-6-16(15)20(17)29-21/h3-6,11H,7-10H2,1-2H3,(H,26,27)