[(E)-3-bromanylbut-1-enyl]-phenyl-(3-propan-2-ylsulfanylphenyl)borane; 1-(2-ethyl-4,6-dimethyl-heptyl)-2-phenyl-imidazole

Systemtic Name: [(E)-3-bromanylbut-1-enyl]-phenyl-(3-propan-2-ylsulfanylphenyl)borane; 1-(2-ethyl-4,6-dimethyl-heptyl)-2-phenyl-imidazole Openeye Name: [(E)-3-bromobut-1-enyl]-(3-isopropylsulfanylphenyl)-phenyl-borane; 1-(2-ethyl-4,6-dimethyl-heptyl)-2-phenyl-imidazole CAS Name: [(E)-3-bromobut-1-enyl]-phenyl-[3-(propan-2-ylthio)phenyl]borane; 1-(2-ethyl-4,6-dimethylheptyl)-2-phenylimidazole IUPAC Name: [(E)-3-bromobut-1-enyl]-phenyl-(3-propan-2-ylsulfanylphenyl)borane; 1-(2-ethyl-4,6-dimethylheptyl)-2-phenylimidazole Traditional Name: [(E)-3-bromobut-1-enyl]-[3-(isopropylthio)phenyl]-phenyl-borane; 1-(2-ethyl-4,6-dimethyl-heptyl)-2-phenyl-imidazole Formula: C39H52BBrN2S MolecularWeight: 671.62358

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Descriptors Computed from Structure

Canonical SMILES:

B(C=CC(C)Br)(C1=CC=CC=C1)C2=CC(=CC=C2)SC(C)C.CCC(CC(C)CC(C)C)CN1C=CN=C1C2=CC=CC=C2

Isomeric SMILES

B(/C=C/C(C)Br)(C1=CC=CC=C1)C2=CC(=CC=C2)SC(C)C.CCC(CC(C)CC(C)C)CN1C=CN=C1C2=CC=CC=C2

InChI

InChI=1S/C20H30N2.C19H22BBrS/c1-5-18(14-17(4)13-16(2)3)15-22-12-11-21-20(22)19-9-7-6-8-10-19;1-15(2)22-19-11-7-10-18(14-19)20(13-12-16(3)21)17-8-5-4-6-9-17/h6-12,16-18H,5,13-15H2,1-4H3;4-16H,1-3H3/b;13-12+