4-(4-methylsulfonylphenyl)-1-pyridin-4-yl-pyrazole-3-carbonitrile

Systemtic Name: 4-(4-methylsulfonylphenyl)-1-pyridin-4-yl-pyrazole-3-carbonitrile Openeye Name: 4-(4-methylsulfonylphenyl)-1-(4-pyridyl)pyrazole-3-carbonitrile CAS Name: 4-(4-methylsulfonylphenyl)-1-pyridin-4-yl-3-pyrazolecarbonitrile IUPAC Name: 4-(4-methylsulfonylphenyl)-1-pyridin-4-ylpyrazole-3-carbonitrile Traditional Name: 4-(4-mesylphenyl)-1-(4-pyridyl)pyrazole-3-carbonitrile Formula: C16H12N4O2S MolecularWeight: 324.35708

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CN(N=C2C#N)C3=CC=NC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CN(N=C2C#N)C3=CC=NC=C3

InChI

InChI=1S/C16H12N4O2S/c1-23(21,22)14-4-2-12(3-5-14)15-11-20(19-16(15)10-17)13-6-8-18-9-7-13/h2-9,11H,1H3