2-[6-[(5-bromanyl-2-methoxy-cyclohexa-2,4-dien-1-yl)sulfanylmethyl]cyclohexa-1,5-dien-1-yl]-1,3-diazinane

Systemtic Name: 2-[6-[(5-bromanyl-2-methoxy-cyclohexa-2,4-dien-1-yl)sulfanylmethyl]cyclohexa-1,5-dien-1-yl]-1,3-diazinane Openeye Name: 2-[6-[(5-bromo-2-methoxy-cyclohexa-2,4-dien-1-yl)sulfanylmethyl]cyclohexa-1,5-dien-1-yl]hexahydropyrimidine CAS Name: 2-[6-[[(5-bromo-2-methoxy-1-cyclohexa-2,4-dienyl)thio]methyl]-1-cyclohexa-1,5-dienyl]-1,3-diazinane IUPAC Name: 2-[6-[(5-bromo-2-methoxycyclohexa-2,4-dien-1-yl)sulfanylmethyl]cyclohexa-1,5-dien-1-yl]-1,3-diazinane Traditional Name: 2-[6-[[(5-bromo-2-methoxy-cyclohexa-2,4-dien-1-yl)thio]methyl]cyclohexa-1,5-dien-1-yl]hexahydropyrimidine Formula: C18H25BrN2OS MolecularWeight: 397.3729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(CC1SCC2=CCCC=C2C3NCCCN3)Br

Isomeric SMILES

COC1=CC=C(CC1SCC2=CCCC=C2C3NCCCN3)Br

InChI

InChI=1S/C18H25BrN2OS/c1-22-16-8-7-14(19)11-17(16)23-12-13-5-2-3-6-15(13)18-20-9-4-10-21-18/h5-8,17-18,20-21H,2-4,9-12H2,1H3