3-[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazol-4-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 2-besyl-3-[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylonitrile Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25N3O3S/c1-21(2)20-34-25-15-13-22(14-16-25)28-23(19-31(30-28)24-9-5-3-6-10-24)17-27(18-29)35(32,33)26-11-7-4-8-12-26/h3-17,19,21H,20H2,1-2H3