2-[4-ethyl-5-(methylsulfonylmethyl)-3-oxidanylidene-1H-pyrazol-2-yl]propanenitrile

Systemtic Name: 2-[4-ethyl-5-(methylsulfonylmethyl)-3-oxidanylidene-1H-pyrazol-2-yl]propanenitrile Openeye Name: 2-[4-ethyl-5-(methylsulfonylmethyl)-3-oxo-1H-pyrazol-2-yl]propanenitrile CAS Name: 2-[4-ethyl-5-(methylsulfonylmethyl)-3-oxo-1H-pyrazol-2-yl]propanenitrile IUPAC Name: 2-[4-ethyl-5-(methylsulfonylmethyl)-3-oxo-1H-pyrazol-2-yl]propanenitrile Traditional Name: 2-[4-ethyl-5-keto-3-(mesylmethyl)-3-pyrazolin-1-yl]propionitrile Formula: C10H15N3O3S MolecularWeight: 257.3094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN(C1=O)C(C)C#N)CS(=O)(=O)C

Isomeric SMILES

CCC1=C(NN(C1=O)C(C)C#N)CS(=O)(=O)C

InChI

InChI=1S/C10H15N3O3S/c1-4-8-9(6-17(3,15)16)12-13(10(8)14)7(2)5-11/h7,12H,4,6H2,1-3H3