[(Z)-4-[1-(4-methylsulfonylphenyl)-5-pyridin-3-yl-pyrazol-3-yl]but-3-enyl] nitrate

Systemtic Name: [(Z)-4-[1-(4-methylsulfonylphenyl)-5-pyridin-3-yl-pyrazol-3-yl]but-3-enyl] nitrate Openeye Name: [(Z)-4-[1-(4-methylsulfonylphenyl)-5-(3-pyridyl)pyrazol-3-yl]but-3-enyl] nitrate CAS Name: nitric acid [(Z)-4-[1-(4-methylsulfonylphenyl)-5-(3-pyridinyl)-3-pyrazolyl]but-3-enyl] ester IUPAC Name: [(Z)-4-[1-(4-methylsulfonylphenyl)-5-pyridin-3-ylpyrazol-3-yl]but-3-enyl] nitrate Traditional Name: nitric acid [(Z)-4-[1-(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)N2C(=CC(=N2)C=CCCO[N+](=O)[O-])C3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)/C=C\CCO[N+](=O)[O-])C3=CN=CC=C3

InChI

InChI=1S/C19H18N4O5S/c1-29(26,27)18-9-7-17(8-10-18)22-19(15-5-4-11-20-14-15)13-16(21-22)6-2-3-12-28-23(24)25/h2,4-11,13-14H,3,12H2,1H3/b6-2-