2-[4-(4-bromophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]ethanenitrile

Systemtic Name: 2-[4-(4-bromophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]ethanenitrile Openeye Name: 2-[4-(4-bromophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]acetonitrile CAS Name: 2-[4-(4-bromophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]acetonitrile IUPAC Name: 2-[4-(4-bromophenyl)-3-(4-methylsulfonylphenyl)-1H-pyrazol-5-yl]acetonitrile Traditional Name: 2-[4-(4-bromophenyl)-3-(4-mesylphenyl)-1H-pyrazol-5-yl]acetonitrile Formula: C18H14BrN3O2S MolecularWeight: 416.29166

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=C2C3=CC=C(C=C3)Br)CC#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NNC(=C2C3=CC=C(C=C3)Br)CC#N

InChI

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