(3S)-5-(4-bromophenyl)-2-butylsulfonyl-3-(furan-2-yl)-1,3-dihydropyrazole

Systemtic Name: (3S)-5-(4-bromophenyl)-2-butylsulfonyl-3-(furan-2-yl)-1,3-dihydropyrazole Openeye Name: (3S)-5-(4-bromophenyl)-2-butylsulfonyl-3-(2-furyl)-1,3-dihydropyrazole CAS Name: (3S)-5-(4-bromophenyl)-2-butylsulfonyl-3-(2-furanyl)-1,3-dihydropyrazole IUPAC Name: (3S)-5-(4-bromophenyl)-2-butylsulfonyl-3-(furan-2-yl)-1,3-dihydropyrazole Traditional Name: (5S)-3-(4-bromophenyl)-1-butylsulfonyl-5-(2-furyl)-3-pyrazoline Formula: C17H19BrN2O3S MolecularWeight: 411.31336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1C(C=C(N1)C2=CC=C(C=C2)Br)C3=CC=CO3

Isomeric SMILES

CCCCS(=O)(=O)N1[C@@H](C=C(N1)C2=CC=C(C=C2)Br)C3=CC=CO3

InChI

InChI=1S/C17H19BrN2O3S/c1-2-3-11-24(21,22)20-16(17-5-4-10-23-17)12-15(19-20)13-6-8-14(18)9-7-13/h4-10,12,16,19H,2-3,11H2,1H3/t16-/m0/s1