1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)-3-[(E)-3-nitroprop-1-enyl]pyrazole

Systemtic Name: 1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)-3-[(E)-3-nitroprop-1-enyl]pyrazole Openeye Name: 1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)-3-[(E)-3-nitroprop-1-enyl]pyrazole CAS Name: 1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)-3-[(E)-3-nitroprop-1-enyl]pyrazole IUPAC Name: 1-(cyclohexylmethyl)-5-(4-methylsulfonylphenyl)-3-[(E)-3-nitroprop-1-enyl]pyrazole Traditional Name: 1-(cyclohexylmethyl)-5-(4-mesylphenyl)-3-[(E)-3-nitroprop-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(=NN2CC3CCCCC3)C=CC[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2CC3CCCCC3)/C=C/C[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4S/c1-28(26,27)19-11-9-17(10-12-19)20-14-18(8-5-13-23(24)25)21-22(20)15-16-6-3-2-4-7-16/h5,8-12,14,16H,2-4,6-7,13,15H2,1H3/b8-5+