3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazole

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazole Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazole CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazole IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-2-methylsulfonyl-3,4-dihydropyrazole Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1-mesyl-2-pyrazoline Formula: C17H15BrN2O4S MolecularWeight: 423.281

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15BrN2O4S/c1-25(21,22)20-15(12-4-7-16-17(8-12)24-10-23-16)9-14(19-20)11-2-5-13(18)6-3-11/h2-8,15H,9-10H2,1H3