[5-(bromomethyl)-1-phenyl-pyrazol-4-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [5-(bromomethyl)-1-phenyl-pyrazol-4-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [5-(bromomethyl)-1-phenyl-pyrazol-4-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [5-(bromomethyl)-1-phenyl-4-pyrazolyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [5-(bromomethyl)-1-phenylpyrazol-4-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [5-(bromomethyl)-1-phenyl-pyrazol-4-yl]-[4-(methylthio)phenyl]methanone Formula: C18H15BrN2OS MolecularWeight: 387.2935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)CBr

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)CBr

InChI

InChI=1S/C18H15BrN2OS/c1-23-15-9-7-13(8-10-15)18(22)16-12-20-21(17(16)11-19)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3