(E)-N-(6-methylsulfanylphthalazin-5-yl)octadec-9-enamide

Systemtic Name: (E)-N-(6-methylsulfanylphthalazin-5-yl)octadec-9-enamide Openeye Name: (E)-N-(6-methylsulfanylphthalazin-5-yl)octadec-9-enamide CAS Name: (E)-N-[6-(methylthio)-5-phthalazinyl]-9-octadecenamide IUPAC Name: (E)-N-(6-methylsulfanylphthalazin-5-yl)octadec-9-enamide Traditional Name: (E)-N-[6-(methylthio)phthalazin-5-yl]octadec-9-enamide Formula: C27H41N3OS MolecularWeight: 455.69894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC1=C(C=CC2=CN=NC=C21)SC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC1=C(C=CC2=CN=NC=C21)SC

InChI

InChI=1S/C27H41N3OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(31)30-27-24-22-29-28-21-23(24)19-20-25(27)32-2/h10-11,19-22H,3-9,12-18H2,1-2H3,(H,30,31)/b11-10+