3-[3,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrazol-4-yl]propanenitrile

Systemtic Name: 3-[3,5-dimethyl-1-(4-methylphenyl)sulfonyl-pyrazol-4-yl]propanenitrile Openeye Name: 3-[3,5-dimethyl-1-(p-tolylsulfonyl)pyrazol-4-yl]propanenitrile CAS Name: 3-[3,5-dimethyl-1-(4-methylphenyl)sulfonyl-4-pyrazolyl]propanenitrile IUPAC Name: 3-[3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazol-4-yl]propanenitrile Traditional Name: 3-(3,5-dimethyl-1-tosyl-pyrazol-4-yl)propionitrile Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)CCC#N)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=N2)C)CCC#N)C

InChI

InChI=1S/C15H17N3O2S/c1-11-6-8-14(9-7-11)21(19,20)18-13(3)15(5-4-10-16)12(2)17-18/h6-9H,4-5H2,1-3H3