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

Systemtic Name: 1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-[(E)-3-nitroprop-1-enyl]pyrazole Openeye Name: 1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-[(E)-3-nitroprop-1-enyl]pyrazole CAS Name: 1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-[(E)-3-nitroprop-1-enyl]pyrazole IUPAC Name: 1-cyclohexyl-5-(4-methylsulfonylphenyl)-3-[(E)-3-nitroprop-1-enyl]pyrazole Traditional Name: 1-cyclohexyl-5-(4-mesylphenyl)-3-[(E)-3-nitroprop-1-enyl]pyrazole Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-27(25,26)18-11-9-15(10-12-18)19-14-16(6-5-13-21(23)24)20-22(19)17-7-3-2-4-8-17/h5-6,9-12,14,17H,2-4,7-8,13H2,1H3/b6-5+