2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-1,3-benzoxazole CAS Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-1,3-benzoxazole IUPAC Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[(2-bromo-4,5-dimethoxy-benzyl)thio]-1,3-benzoxazole Formula: C16H14BrNO3S MolecularWeight: 380.25626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NC3=CC=CC=C3O2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NC3=CC=CC=C3O2)Br)OC

InChI

InChI=1S/C16H14BrNO3S/c1-19-14-7-10(11(17)8-15(14)20-2)9-22-16-18-12-5-3-4-6-13(12)21-16/h3-8H,9H2,1-2H3