2-[4-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanenitrile

Systemtic Name: 2-[4-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]ethanenitrile Openeye Name: 2-[4-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]acetonitrile CAS Name: 2-[4-(4-bromophenyl)-1-(4-methylsulfonylphenyl)-3-pyrazolyl]acetonitrile IUPAC Name: 2-[4-(4-bromophenyl)-1-(4-methylsulfonylphenyl)pyrazol-3-yl]acetonitrile Traditional Name: 2-[4-(4-bromophenyl)-1-(4-mesylphenyl)pyrazol-3-yl]acetonitrile Formula: C18H14BrN3O2S MolecularWeight: 416.29166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C=C(C(=N2)CC#N)C3=CC=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C=C(C(=N2)CC#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H14BrN3O2S/c1-25(23,24)16-8-6-15(7-9-16)22-12-17(18(21-22)10-11-20)13-2-4-14(19)5-3-13/h2-9,12H,10H2,1H3