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

Systemtic Name: 2-[2-[(5-bromanyl-2-methoxy-cyclohexa-2,4-dien-1-yl)methylsulfanyl]-5-methyl-phenyl]-1,3-diazinane Openeye Name: 2-[2-[(5-bromo-2-methoxy-cyclohexa-2,4-dien-1-yl)methylsulfanyl]-5-methyl-phenyl]hexahydropyrimidine CAS Name: 2-[2-[(5-bromo-2-methoxy-1-cyclohexa-2,4-dienyl)methylthio]-5-methylphenyl]-1,3-diazinane IUPAC Name: 2-[2-[(5-bromo-2-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]-5-methylphenyl]-1,3-diazinane Traditional Name: 2-[2-[(5-bromo-2-methoxy-cyclohexa-2,4-dien-1-yl)methylthio]-5-methyl-phenyl]hexahydropyrimidine Formula: C19H25BrN2OS MolecularWeight: 409.3836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2CC(=CC=C2OC)Br)C3NCCCN3

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2CC(=CC=C2OC)Br)C3NCCCN3

InChI

InChI=1S/C19H25BrN2OS/c1-13-4-7-18(16(10-13)19-21-8-3-9-22-19)24-12-14-11-15(20)5-6-17(14)23-2/h4-7,10,14,19,21-22H,3,8-9,11-12H2,1-2H3