2-[5-bromanyl-6-(1,2-dihydronaphthalen-1-ylsulfanylmethyl)cyclohexa-1,5-dien-1-yl]-1,3-diazinane

Systemtic Name: 2-[5-bromanyl-6-(1,2-dihydronaphthalen-1-ylsulfanylmethyl)cyclohexa-1,5-dien-1-yl]-1,3-diazinane Openeye Name: 2-[5-bromo-6-(1,2-dihydronaphthalen-1-ylsulfanylmethyl)cyclohexa-1,5-dien-1-yl]hexahydropyrimidine CAS Name: 2-[5-bromo-6-[(1,2-dihydronaphthalen-1-ylthio)methyl]-1-cyclohexa-1,5-dienyl]-1,3-diazinane IUPAC Name: 2-[5-bromo-6-(1,2-dihydronaphthalen-1-ylsulfanylmethyl)cyclohexa-1,5-dien-1-yl]-1,3-diazinane Traditional Name: 2-[5-bromo-6-[(1,2-dihydronaphthalen-1-ylthio)methyl]cyclohexa-1,5-dien-1-yl]hexahydropyrimidine Formula: C21H25BrN2S MolecularWeight: 417.4056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(NC1)C2=CCCC(=C2CSC3CC=CC4=CC=CC=C34)Br

Isomeric SMILES

C1CNC(NC1)C2=CCCC(=C2CSC3CC=CC4=CC=CC=C34)Br

InChI

InChI=1S/C21H25BrN2S/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/h1-3,6-9,20-21,23-24H,4-5,10-14H2