tert-butyl-phenyl-(2-propan-2-ylsulfanylphenyl)borane; 1-[(4-fluoranyl-3-methyl-2-nitro-phenyl)methyl]imidazole

Systemtic Name: tert-butyl-phenyl-(2-propan-2-ylsulfanylphenyl)borane; 1-[(4-fluoranyl-3-methyl-2-nitro-phenyl)methyl]imidazole Openeye Name: tert-butyl-(2-isopropylsulfanylphenyl)-phenyl-borane; 1-[(4-fluoro-3-methyl-2-nitro-phenyl)methyl]imidazole CAS Name: tert-butyl-phenyl-[2-(propan-2-ylthio)phenyl]borane; 1-[(4-fluoro-3-methyl-2-nitrophenyl)methyl]imidazole IUPAC Name: tert-butyl-phenyl-(2-propan-2-ylsulfanylphenyl)borane; 1-[(4-fluoro-3-methyl-2-nitrophenyl)methyl]imidazole Traditional Name: tert-butyl-[2-(isopropylthio)phenyl]-phenyl-borane; 1-(4-fluoro-3-methyl-2-nitro-benzyl)imidazole Formula: C30H35BFN3O2S MolecularWeight: 531.492203

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=CC=C1)(C2=CC=CC=C2SC(C)C)C(C)(C)C.CC1=C(C=CC(=C1[N+](=O)[O-])CN2C=CN=C2)F

Isomeric SMILES

B(C1=CC=CC=C1)(C2=CC=CC=C2SC(C)C)C(C)(C)C.CC1=C(C=CC(=C1[N+](=O)[O-])CN2C=CN=C2)F

InChI

InChI=1S/C19H25BS.C11H10FN3O2/c1-15(2)21-18-14-10-9-13-17(18)20(19(3,4)5)16-11-7-6-8-12-16;1-8-10(12)3-2-9(11(8)15(16)17)6-14-5-4-13-7-14/h6-15H,1-5H3;2-5,7H,6H2,1H3