(E)-1-(3-bromophenyl)-3-pyrimidin-2-ylsulfanyl-prop-2-en-1-one

Systemtic Name: (E)-1-(3-bromophenyl)-3-pyrimidin-2-ylsulfanyl-prop-2-en-1-one Openeye Name: (E)-1-(3-bromophenyl)-3-pyrimidin-2-ylsulfanyl-prop-2-en-1-one CAS Name: (E)-1-(3-bromophenyl)-3-(2-pyrimidinylthio)-2-propen-1-one IUPAC Name: (E)-1-(3-bromophenyl)-3-pyrimidin-2-ylsulfanylprop-2-en-1-one Traditional Name: (E)-1-(3-bromophenyl)-3-(2-pyrimidylthio)prop-2-en-1-one Formula: C13H9BrN2OS MolecularWeight: 321.19236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)C=CSC2=NC=CC=N2

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)/C=C/SC2=NC=CC=N2

InChI

InChI=1S/C13H9BrN2OS/c14-11-4-1-3-10(9-11)12(17)5-8-18-13-15-6-2-7-16-13/h1-9H/b8-5+