4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylsulfonyl-ethyl]benzenecarbonitrile

Systemtic Name: 4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylsulfonyl-ethyl]benzenecarbonitrile Openeye Name: 4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylsulfonyl-ethyl]benzonitrile CAS Name: 4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylsulfonylethyl]benzonitrile IUPAC Name: 4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-2-methylsulfonylethyl]benzonitrile Traditional Name: 4-[1-(3,5-diethyl-1H-pyrazol-4-yl)-2-mesyl-ethyl]benzonitrile Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1)CC)C(CS(=O)(=O)C)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1=C(C(=NN1)CC)C(CS(=O)(=O)C)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H21N3O2S/c1-4-15-17(16(5-2)20-19-15)14(11-23(3,21)22)13-8-6-12(10-18)7-9-13/h6-9,14H,4-5,11H2,1-3H3,(H,19,20)