5-(1,3-benzoxazol-2-ylsulfanyl)pentan-2-one

Systemtic Name: 5-(1,3-benzoxazol-2-ylsulfanyl)pentan-2-one Openeye Name: 5-(1,3-benzoxazol-2-ylsulfanyl)pentan-2-one CAS Name: 5-(1,3-benzoxazol-2-ylthio)-2-pentanone IUPAC Name: 5-(1,3-benzoxazol-2-ylsulfanyl)pentan-2-one Traditional Name: 5-(1,3-benzoxazol-2-ylthio)pentan-2-one Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCSC1=NC2=CC=CC=C2O1

Isomeric SMILES

CC(=O)CCCSC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C12H13NO2S/c1-9(14)5-4-8-16-12-13-10-6-2-3-7-11(10)15-12/h2-3,6-7H,4-5,8H2,1H3