4-bromanyl-5-(phenylmethyl)-1,2-thiazol-3-one

Systemtic Name: 4-bromanyl-5-(phenylmethyl)-1,2-thiazol-3-one Openeye Name: 5-benzyl-4-bromo-isothiazol-3-one CAS Name: 4-bromo-5-(phenylmethyl)-3-isothiazolone IUPAC Name: 5-benzyl-4-bromo-1,2-thiazol-3-one Traditional Name: 5-benzyl-4-bromo-4-isothiazolin-3-one Formula: C10H8BrNOS MolecularWeight: 270.14562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(=O)NS2)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(=O)NS2)Br

InChI

InChI=1S/C10H8BrNOS/c11-9-8(14-12-10(9)13)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13)