3-chloranyl-5-(4-methylsulfonylphenyl)-1-(3-nitro-4-propyl-phenyl)pyrazole

Systemtic Name: 3-chloranyl-5-(4-methylsulfonylphenyl)-1-(3-nitro-4-propyl-phenyl)pyrazole Openeye Name: 3-chloro-5-(4-methylsulfonylphenyl)-1-(3-nitro-4-propyl-phenyl)pyrazole CAS Name: 3-chloro-5-(4-methylsulfonylphenyl)-1-(3-nitro-4-propylphenyl)pyrazole IUPAC Name: 3-chloro-5-(4-methylsulfonylphenyl)-1-(3-nitro-4-propylphenyl)pyrazole Traditional Name: 3-chloro-5-(4-mesylphenyl)-1-(3-nitro-4-propyl-phenyl)pyrazole Formula: C19H18ClN3O4S MolecularWeight: 419.88192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)N2C(=CC(=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=C(C=C1)N2C(=CC(=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN3O4S/c1-3-4-13-5-8-15(11-18(13)23(24)25)22-17(12-19(20)21-22)14-6-9-16(10-7-14)28(2,26)27/h5-12H,3-4H2,1-2H3