(E)-3-bromanyl-1-isothiocyanato-2-methyl-prop-2-en-1-one

Systemtic Name: (E)-3-bromanyl-1-isothiocyanato-2-methyl-prop-2-en-1-one Openeye Name: (E)-3-bromo-2-methyl-prop-2-enoyl isothiocyanate CAS Name: (E)-3-bromo-1-isothiocyanato-2-methyl-2-propen-1-one IUPAC Name: (E)-3-bromo-2-methylprop-2-enoyl isothiocyanate Traditional Name: (E)-3-bromo-1-isothiocyanato-2-methyl-prop-2-en-1-one Formula: C5H4BrNOS MolecularWeight: 206.06036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CBr)C(=O)N=C=S

Isomeric SMILES

C/C(=C\Br)/C(=O)N=C=S

InChI

InChI=1S/C5H4BrNOS/c1-4(2-6)5(8)7-3-9/h2H,1H3/b4-2+