1-[4,6-bis(fluoranyl)-1,3,5-triazin-2-yl]-3-ethylsulfanyl-2-phenethyl-isoindole

Systemtic Name: 1-[4,6-bis(fluoranyl)-1,3,5-triazin-2-yl]-3-ethylsulfanyl-2-phenethyl-isoindole Openeye Name: 1-(4,6-difluoro-1,3,5-triazin-2-yl)-3-ethylsulfanyl-2-phenethyl-isoindole CAS Name: 1-(4,6-difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-phenethylisoindole IUPAC Name: 1-(4,6-difluoro-1,3,5-triazin-2-yl)-3-ethylsulfanyl-2-phenethylisoindole Traditional Name: 1-(4,6-difluoro-s-triazin-2-yl)-3-(ethylthio)-2-phenethyl-isoindole Formula: C21H18F2N4S MolecularWeight: 396.456226

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C2C=CC=CC2=C(N1CCC3=CC=CC=C3)C4=NC(=NC(=N4)F)F

Isomeric SMILES

CCSC1=C2C=CC=CC2=C(N1CCC3=CC=CC=C3)C4=NC(=NC(=N4)F)F

InChI

InChI=1S/C21H18F2N4S/c1-2-28-19-16-11-7-6-10-15(16)17(18-24-20(22)26-21(23)25-18)27(19)13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3