5-(4-methylsulfonylphenyl)-1-(2-nitrophenyl)pyrazole-3-carbonitrile

Systemtic Name: 5-(4-methylsulfonylphenyl)-1-(2-nitrophenyl)pyrazole-3-carbonitrile Openeye Name: 5-(4-methylsulfonylphenyl)-1-(2-nitrophenyl)pyrazole-3-carbonitrile CAS Name: 5-(4-methylsulfonylphenyl)-1-(2-nitrophenyl)-3-pyrazolecarbonitrile IUPAC Name: 5-(4-methylsulfonylphenyl)-1-(2-nitrophenyl)pyrazole-3-carbonitrile Traditional Name: 5-(4-mesylphenyl)-1-(2-nitrophenyl)pyrazole-3-carbonitrile Formula: C17H12N4O4S MolecularWeight: 368.36658

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3[N+](=O)[O-])C#N

InChI

InChI=1S/C17H12N4O4S/c1-26(24,25)14-8-6-12(7-9-14)17-10-13(11-18)19-20(17)15-4-2-3-5-16(15)21(22)23/h2-10H,1H3