4-iodanyl-1-(4-methylphenyl)sulfonyl-5-phenyl-pyrazole

Systemtic Name: 4-iodanyl-1-(4-methylphenyl)sulfonyl-5-phenyl-pyrazole Openeye Name: 4-iodo-5-phenyl-1-(p-tolylsulfonyl)pyrazole CAS Name: 4-iodo-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole IUPAC Name: 4-iodo-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole Traditional Name: 4-iodo-5-phenyl-1-tosyl-pyrazole Formula: C16H13IN2O2S MolecularWeight: 424.25609

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C=N2)I)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C=N2)I)C3=CC=CC=C3

InChI

InChI=1S/C16H13IN2O2S/c1-12-7-9-14(10-8-12)22(20,21)19-16(15(17)11-18-19)13-5-3-2-4-6-13/h2-11H,1H3