[(E)-4-[5-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-3-yl]but-3-enyl] nitrate

Systemtic Name: [(E)-4-[5-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-3-yl]but-3-enyl] nitrate Openeye Name: [(E)-4-[5-(4-methylsulfonylphenyl)-1-phenyl-pyrazol-3-yl]but-3-enyl] nitrate CAS Name: nitric acid [(E)-4-[5-(4-methylsulfonylphenyl)-1-phenyl-3-pyrazolyl]but-3-enyl] ester IUPAC Name: [(E)-4-[5-(4-methylsulfonylphenyl)-1-phenylpyrazol-3-yl]but-3-enyl] nitrate Traditional Name: nitric acid [(E)-4-[5-(4-mesylphenyl)-1-phenyl-pyrazol-3-yl]but-3-enyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-29(26,27)19-12-10-16(11-13-19)20-15-17(7-5-6-14-28-23(24)25)21-22(20)18-8-3-2-4-9-18/h2-5,7-13,15H,6,14H2,1H3/b7-5+