(E)-3-(4-bromophenyl)-1-isothiocyanato-prop-2-en-1-one

Systemtic Name: (E)-3-(4-bromophenyl)-1-isothiocyanato-prop-2-en-1-one Openeye Name: (E)-3-(4-bromophenyl)prop-2-enoyl isothiocyanate CAS Name: (E)-3-(4-bromophenyl)-1-isothiocyanato-2-propen-1-one IUPAC Name: (E)-3-(4-bromophenyl)prop-2-enoyl isothiocyanate Traditional Name: (E)-3-(4-bromophenyl)-1-isothiocyanato-prop-2-en-1-one Formula: C10H6BrNOS MolecularWeight: 268.12974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)N=C=S)Br

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)N=C=S)Br

InChI

InChI=1S/C10H6BrNOS/c11-9-4-1-8(2-5-9)3-6-10(13)12-7-14/h1-6H/b6-3+