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

Systemtic Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-[(4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)-3-[(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)-3-[(4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]propionamide Formula: C20H16N4O3S2 MolecularWeight: 424.49604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2C#N)NC(=O)CCSC4=NC(=CC(=O)N4)O

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2C#N)NC(=O)CCSC4=NC(=CC(=O)N4)O

InChI

InChI=1S/C20H16N4O3S2/c21-10-14-13-6-5-11-3-1-2-4-12(11)18(13)29-19(14)22-15(25)7-8-28-20-23-16(26)9-17(27)24-20/h1-4,9H,5-8H2,(H,22,25)(H2,23,24,26,27)