2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)-3,3a-dihydropyrazolo[1,5-b]pyridazine

Systemtic Name: 2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)-3,3a-dihydropyrazolo[1,5-b]pyridazine Openeye Name: 2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)-3,3a-dihydropyrazolo[1,5-b]pyridazine CAS Name: 2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)-3,3a-dihydropyrazolo[1,5-b]pyridazine IUPAC Name: 2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)-3,3a-dihydropyrazolo[1,5-b]pyridazine Traditional Name: 3-(4-mesylphenyl)-2-p-phenetyl-3,3a-dihydropyrazolo[1,5-b]pyridazine Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN3C(C2C4=CC=C(C=C4)S(=O)(=O)C)C=CC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN3C(C2C4=CC=C(C=C4)S(=O)(=O)C)C=CC=N3

InChI

InChI=1S/C21H21N3O3S/c1-3-27-17-10-6-16(7-11-17)21-20(19-5-4-14-22-24(19)23-21)15-8-12-18(13-9-15)28(2,25)26/h4-14,19-20H,3H2,1-2H3