2-bromanyl-5-(phenylmethylsulfanyl)-2,3-dihydroinden-1-one

Systemtic Name: 2-bromanyl-5-(phenylmethylsulfanyl)-2,3-dihydroinden-1-one Openeye Name: 5-benzylsulfanyl-2-bromo-indan-1-one CAS Name: 2-bromo-5-(phenylmethylthio)-2,3-dihydroinden-1-one IUPAC Name: 5-benzylsulfanyl-2-bromo-2,3-dihydroinden-1-one Traditional Name: 5-(benzylthio)-2-bromo-indan-1-one Formula: C16H13BrOS MolecularWeight: 333.24282

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C1C=C(C=C2)SCC3=CC=CC=C3)Br

Isomeric SMILES

C1C(C(=O)C2=C1C=C(C=C2)SCC3=CC=CC=C3)Br

InChI

InChI=1S/C16H13BrOS/c17-15-9-12-8-13(6-7-14(12)16(15)18)19-10-11-4-2-1-3-5-11/h1-8,15H,9-10H2