4-bromanyl-2-phenethyl-1,2-thiazol-3-one

Systemtic Name: 4-bromanyl-2-phenethyl-1,2-thiazol-3-one Openeye Name: 4-bromo-2-phenethyl-isothiazol-3-one CAS Name: 4-bromo-2-phenethyl-3-isothiazolone IUPAC Name: 4-bromo-2-phenethyl-1,2-thiazol-3-one Traditional Name: 4-bromo-2-phenethyl-4-isothiazolin-3-one Formula: C11H10BrNOS MolecularWeight: 284.1722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C(=CS2)Br

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C(=CS2)Br

InChI

InChI=1S/C11H10BrNOS/c12-10-8-15-13(11(10)14)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2