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

Systemtic Name: [(E)-4-[3-(4-methylsulfonylphenyl)-5-pyridin-3-yl-pyrazol-3-yl]but-3-enyl] nitrate Openeye Name: [(E)-4-[3-(4-methylsulfonylphenyl)-5-(3-pyridyl)pyrazol-3-yl]but-3-enyl] nitrate CAS Name: nitric acid [(E)-4-[3-(4-methylsulfonylphenyl)-5-(3-pyridinyl)-3-pyrazolyl]but-3-enyl] ester IUPAC Name: [(E)-4-[3-(4-methylsulfonylphenyl)-5-pyridin-3-ylpyrazol-3-yl]but-3-enyl] nitrate Traditional Name: nitric acid [(E)-4-[3-(4-mesylphenyl)-5-(3-pyridyl)pyrazol-3-yl]but-3-enyl] ester Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2(C=C(N=N2)C3=CN=CC=C3)C=CCCO[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2(C=C(N=N2)C3=CN=CC=C3)/C=C/CCO[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c1-29(26,27)17-8-6-16(7-9-17)19(10-2-3-12-28-23(24)25)13-18(21-22-19)15-5-4-11-20-14-15/h2,4-11,13-14H,3,12H2,1H3/b10-2+