5-(4-methylsulfonylphenyl)-3-[(E)-4-nitrobut-1-enyl]-1-phenyl-pyrazole

Systemtic Name: 5-(4-methylsulfonylphenyl)-3-[(E)-4-nitrobut-1-enyl]-1-phenyl-pyrazole Openeye Name: 5-(4-methylsulfonylphenyl)-3-[(E)-4-nitrobut-1-enyl]-1-phenyl-pyrazole CAS Name: 5-(4-methylsulfonylphenyl)-3-[(E)-4-nitrobut-1-enyl]-1-phenylpyrazole IUPAC Name: 5-(4-methylsulfonylphenyl)-3-[(E)-4-nitrobut-1-enyl]-1-phenylpyrazole Traditional Name: 5-(4-mesylphenyl)-3-[(E)-4-nitrobut-1-enyl]-1-phenyl-pyrazole Formula: C20H19N3O4S MolecularWeight: 397.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C=CCC[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)/C=C/CC[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-28(26,27)19-12-10-16(11-13-19)20-15-17(7-5-6-14-22(24)25)21-23(20)18-8-3-2-4-9-18/h2-5,7-13,15H,6,14H2,1H3/b7-5+