2-[2-[(6-bromanyl-2-methoxy-cyclohexa-2,4-dien-1-yl)methylsulfanyl]phenyl]-1,3-diazinane

Systemtic Name: 2-[2-[(6-bromanyl-2-methoxy-cyclohexa-2,4-dien-1-yl)methylsulfanyl]phenyl]-1,3-diazinane Openeye Name: 2-[2-[(6-bromo-2-methoxy-cyclohexa-2,4-dien-1-yl)methylsulfanyl]phenyl]hexahydropyrimidine CAS Name: 2-[2-[(6-bromo-2-methoxy-1-cyclohexa-2,4-dienyl)methylthio]phenyl]-1,3-diazinane IUPAC Name: 2-[2-[(6-bromo-2-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]phenyl]-1,3-diazinane Traditional Name: 2-[2-[(6-bromo-2-methoxy-cyclohexa-2,4-dien-1-yl)methylthio]phenyl]hexahydropyrimidine Formula: C18H23BrN2OS MolecularWeight: 395.35702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(C1CSC2=CC=CC=C2C3NCCCN3)Br

Isomeric SMILES

COC1=CC=CC(C1CSC2=CC=CC=C2C3NCCCN3)Br

InChI

InChI=1S/C18H23BrN2OS/c1-22-16-8-4-7-15(19)14(16)12-23-17-9-3-2-6-13(17)18-20-10-5-11-21-18/h2-4,6-9,14-15,18,20-21H,5,10-12H2,1H3