4-bromanyl-5-hexyl-3-sulfanyl-2H-1,3-benzoxazole

Systemtic Name: 4-bromanyl-5-hexyl-3-sulfanyl-2H-1,3-benzoxazole Openeye Name: 4-bromo-5-hexyl-3-sulfanyl-2H-1,3-benzoxazole CAS Name: 4-bromo-5-hexyl-3-mercapto-2H-1,3-benzoxazole IUPAC Name: 4-bromo-5-hexyl-3-sulfanyl-2H-1,3-benzoxazole Traditional Name: 4-bromo-5-hexyl-3-mercapto-2H-1,3-benzoxazole Formula: C13H18BrNOS MolecularWeight: 316.25712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C2=C(C=C1)OCN2S)Br

Isomeric SMILES

CCCCCCC1=C(C2=C(C=C1)OCN2S)Br

InChI

InChI=1S/C13H18BrNOS/c1-2-3-4-5-6-10-7-8-11-13(12(10)14)15(17)9-16-11/h7-8,17H,2-6,9H2,1H3