3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enenitrile Traditional Name: 2-besyl-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acrylonitrile Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C(C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C(C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O2S/c1-15-20(16(2)23(22-15)17-9-5-3-6-10-17)13-19(14-21)26(24,25)18-11-7-4-8-12-18/h3-13H,1-2H3