N-(3-cyanophenyl)-2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyanophenyl)-2-(7-oxobenzo[a]phenalen-3-yl)sulfanyl-acetamide CAS Name: N-(3-cyanophenyl)-2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetamide Traditional Name: N-(3-cyanophenyl)-2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetamide Formula: C26H16N2O2S MolecularWeight: 420.48244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)NC5=CC=CC(=C5)C#N)C=CC=C4C2=O

Isomeric SMILES

C1=CC=C2C(=C1)C3=C4C(=C(C=C3)SCC(=O)NC5=CC=CC(=C5)C#N)C=CC=C4C2=O

InChI

InChI=1S/C26H16N2O2S/c27-14-16-5-3-6-17(13-16)28-24(29)15-31-23-12-11-19-18-7-1-2-8-20(18)26(30)22-10-4-9-21(23)25(19)22/h1-13H,15H2,(H,28,29)