2-[5-fluoranyl-6-(naphthalen-1-ylsulfanylmethyl)cyclohexa-1,5-dien-1-yl]-1,4,5,6-tetrahydropyrimidine

Systemtic Name: 2-[5-fluoranyl-6-(naphthalen-1-ylsulfanylmethyl)cyclohexa-1,5-dien-1-yl]-1,4,5,6-tetrahydropyrimidine Openeye Name: 2-[5-fluoro-6-(1-naphthylsulfanylmethyl)cyclohexa-1,5-dien-1-yl]-1,4,5,6-tetrahydropyrimidine CAS Name: 2-[5-fluoro-6-[(1-naphthalenylthio)methyl]-1-cyclohexa-1,5-dienyl]-1,4,5,6-tetrahydropyrimidine IUPAC Name: 2-[5-fluoro-6-(naphthalen-1-ylsulfanylmethyl)cyclohexa-1,5-dien-1-yl]-1,4,5,6-tetrahydropyrimidine Traditional Name: 2-[5-fluoro-6-[(1-naphthylthio)methyl]cyclohexa-1,5-dien-1-yl]-1,4,5,6-tetrahydropyrimidine Formula: C21H21FN2S MolecularWeight: 352.468243

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)C2=CCCC(=C2CSC3=CC=CC4=CC=CC=C43)F

Isomeric SMILES

C1CNC(=NC1)C2=CCCC(=C2CSC3=CC=CC4=CC=CC=C43)F

InChI

InChI=1S/C21H21FN2S/c22-19-10-4-9-17(21-23-12-5-13-24-21)18(19)14-25-20-11-3-7-15-6-1-2-8-16(15)20/h1-3,6-9,11H,4-5,10,12-14H2,(H,23,24)