1-methyl-5-methylsulfonyl-3-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 1-methyl-5-methylsulfonyl-3-phenyl-pyrazole-4-carbonitrile Openeye Name: 1-methyl-5-methylsulfonyl-3-phenyl-pyrazole-4-carbonitrile CAS Name: 1-methyl-5-methylsulfonyl-3-phenyl-4-pyrazolecarbonitrile IUPAC Name: 1-methyl-5-methylsulfonyl-3-phenylpyrazole-4-carbonitrile Traditional Name: 5-mesyl-1-methyl-3-phenyl-pyrazole-4-carbonitrile Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)C#N)S(=O)(=O)C

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)C#N)S(=O)(=O)C

InChI

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