2-[2-[(5-bromanyl-2-methoxy-cyclohexa-2,4-dien-1-yl)methylsulfanyl]-3-fluoranyl-phenyl]-1,3-diazinane

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-cyclohexa-2,4-dien-1-yl)methylsulfanyl]-3-fluoranyl-phenyl]-1,3-diazinane Openeye Name: 2-[2-[(5-bromo-2-methoxy-cyclohexa-2,4-dien-1-yl)methylsulfanyl]-3-fluoro-phenyl]hexahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methoxy-1-cyclohexa-2,4-dienyl)methylthio]-3-fluorophenyl]-1,3-diazinane IUPAC Name: 2-[2-[(5-bromo-2-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]-3-fluorophenyl]-1,3-diazinane Traditional Name: 2-[2-[(5-bromo-2-methoxy-cyclohexa-2,4-dien-1-yl)methylthio]-3-fluoro-phenyl]hexahydropyrimidine Formula: C18H22BrFN2OS MolecularWeight: 413.347483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(CC1CSC2=C(C=CC=C2F)C3NCCCN3)Br

Isomeric SMILES

COC1=CC=C(CC1CSC2=C(C=CC=C2F)C3NCCCN3)Br

InChI

InChI=1S/C18H22BrFN2OS/c1-23-16-7-6-13(19)10-12(16)11-24-17-14(4-2-5-15(17)20)18-21-8-3-9-22-18/h2,4-7,12,18,21-22H,3,8-11H2,1H3