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

Systemtic Name: 2-[2-[(5-bromanyl-2-propan-2-yloxy-cyclohexa-2,4-dien-1-yl)methylsulfanyl]phenyl]-1,3-diazinane Openeye Name: 2-[2-[(5-bromo-2-isopropoxy-cyclohexa-2,4-dien-1-yl)methylsulfanyl]phenyl]hexahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-propan-2-yloxy-1-cyclohexa-2,4-dienyl)methylthio]phenyl]-1,3-diazinane IUPAC Name: 2-[2-[(5-bromo-2-propan-2-yloxycyclohexa-2,4-dien-1-yl)methylsulfanyl]phenyl]-1,3-diazinane Traditional Name: 2-[2-[(5-bromo-2-isopropoxy-cyclohexa-2,4-dien-1-yl)methylthio]phenyl]hexahydropyrimidine Formula: C20H27BrN2OS MolecularWeight: 423.41018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(CC1CSC2=CC=CC=C2C3NCCCN3)Br

Isomeric SMILES

CC(C)OC1=CC=C(CC1CSC2=CC=CC=C2C3NCCCN3)Br

InChI

InChI=1S/C20H27BrN2OS/c1-14(2)24-18-9-8-16(21)12-15(18)13-25-19-7-4-3-6-17(19)20-22-10-5-11-23-20/h3-4,6-9,14-15,20,22-23H,5,10-13H2,1-2H3