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

Systemtic Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-(3-cyano-6-methyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-[(3-cyano-6-methyl-2-pyridinyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-(3-cyano-6-methylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-[(3-cyano-6-methyl-2-pyridyl)thio]propionamide Formula: C23H18N4OS2 MolecularWeight: 430.54522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N4OS2/c1-14-6-7-16(12-24)22(26-14)29-11-10-20(28)27-23-19(13-25)18-9-8-15-4-2-3-5-17(15)21(18)30-23/h2-7H,8-11H2,1H3,(H,27,28)