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

Systemtic Name: 1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-[(E)-4-nitrobut-1-enyl]pyrazole Openeye Name: 1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-[(E)-4-nitrobut-1-enyl]pyrazole CAS Name: 1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-[(E)-4-nitrobut-1-enyl]pyrazole IUPAC Name: 1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-[(E)-4-nitrobut-1-enyl]pyrazole Traditional Name: 1-cyclohexyl-5-(4-mesylphenyl)-3-[(E)-4-nitrobut-1-enyl]pyrazole Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCCCC3)C=CCC[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3CCCCC3)/C=C/CC[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4S/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/h5,7,10-13,15,18H,2-4,6,8-9,14H2,1H3/b7-5+