4-(4-bromophenyl)-4-(4-methylsulfonylphenyl)-1,5-dihydropyrazole-5-carbonitrile

Systemtic Name: 4-(4-bromophenyl)-4-(4-methylsulfonylphenyl)-1,5-dihydropyrazole-5-carbonitrile Openeye Name: 4-(4-bromophenyl)-4-(4-methylsulfonylphenyl)-1,5-dihydropyrazole-5-carbonitrile CAS Name: 4-(4-bromophenyl)-4-(4-methylsulfonylphenyl)-1,5-dihydropyrazole-5-carbonitrile IUPAC Name: 4-(4-bromophenyl)-4-(4-methylsulfonylphenyl)-1,5-dihydropyrazole-5-carbonitrile Traditional Name: 4-(4-bromophenyl)-4-(4-mesylphenyl)-2-pyrazoline-3-carbonitrile Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2(C=NNC2C#N)C3=CC=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2(C=NNC2C#N)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrN3O2S/c1-24(22,23)15-8-4-13(5-9-15)17(11-20-21-16(17)10-19)12-2-6-14(18)7-3-12/h2-9,11,16,21H,1H3