3,5-dimethyl-1-(phenylsulfonyl)pyrazole-4-carbonitrile

Systemtic Name: 3,5-dimethyl-1-(phenylsulfonyl)pyrazole-4-carbonitrile Openeye Name: 1-(benzenesulfonyl)-3,5-dimethyl-pyrazole-4-carbonitrile CAS Name: 1-(benzenesulfonyl)-3,5-dimethyl-4-pyrazolecarbonitrile IUPAC Name: 1-(benzenesulfonyl)-3,5-dimethylpyrazole-4-carbonitrile Traditional Name: 1-besyl-3,5-dimethyl-pyrazole-4-carbonitrile Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2)C)C#N

Isomeric SMILES

CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2)C)C#N

InChI

InChI=1S/C12H11N3O2S/c1-9-12(8-13)10(2)15(14-9)18(16,17)11-6-4-3-5-7-11/h3-7H,1-2H3