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

Systemtic Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-(1-methylimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-[(1-methyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-[(1-methylimidazol-2-yl)thio]propionamide Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCC(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C#N

Isomeric SMILES

CN1C=CN=C1SCCC(=O)NC2=C(C3=C(S2)C4=CC=CC=C4CC3)C#N

InChI

InChI=1S/C20H18N4OS2/c1-24-10-9-22-20(24)26-11-8-17(25)23-19-16(12-21)15-7-6-13-4-2-3-5-14(13)18(15)27-19/h2-5,9-10H,6-8,11H2,1H3,(H,23,25)