2-[2-(1,2-dihydronaphthalen-1-ylmethylsulfanyl)-3-fluoranyl-phenyl]-1,3-diazinane

Systemtic Name: 2-[2-(1,2-dihydronaphthalen-1-ylmethylsulfanyl)-3-fluoranyl-phenyl]-1,3-diazinane Openeye Name: 2-[2-(1,2-dihydronaphthalen-1-ylmethylsulfanyl)-3-fluoro-phenyl]hexahydropyrimidine CAS Name: 2-[2-(1,2-dihydronaphthalen-1-ylmethylthio)-3-fluorophenyl]-1,3-diazinane IUPAC Name: 2-[2-(1,2-dihydronaphthalen-1-ylmethylsulfanyl)-3-fluorophenyl]-1,3-diazinane Traditional Name: 2-[2-(1,2-dihydronaphthalen-1-ylmethylthio)-3-fluoro-phenyl]hexahydropyrimidine Formula: C21H23FN2S MolecularWeight: 354.484123

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(NC1)C2=C(C(=CC=C2)F)SCC3CC=CC4=CC=CC=C34

Isomeric SMILES

C1CNC(NC1)C2=C(C(=CC=C2)F)SCC3CC=CC4=CC=CC=C34

InChI

InChI=1S/C21H23FN2S/c22-19-11-4-10-18(21-23-12-5-13-24-21)20(19)25-14-16-8-3-7-15-6-1-2-9-17(15)16/h1-4,6-7,9-11,16,21,23-24H,5,8,12-14H2