2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1,3-benzoxazole CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1,3-benzoxazole IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1,3-benzoxazole Formula: C16H12BrNO3S MolecularWeight: 378.24038

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C16H12BrNO3S/c17-11-8-15-14(19-5-6-20-15)7-10(11)9-22-16-18-12-3-1-2-4-13(12)21-16/h1-4,7-8H,5-6,9H2