(E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (E)-2-methylsulfonyl-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (E)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: (E)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-2-methylsulfonylprop-2-enenitrile Traditional Name: (E)-2-mesyl-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]acrylonitrile Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C20H17N3O2S/c1-15-8-10-16(11-9-15)20-17(12-19(13-21)26(2,24)25)14-23(22-20)18-6-4-3-5-7-18/h3-12,14H,1-2H3/b19-12+