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

Systemtic Name: 2-(4-methylphenyl)sulfonyl-3-[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-pyrazol-4-yl]prop-2-enenitrile Openeye Name: 3-[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 2-(4-methylphenyl)sulfonyl-3-[3-[4-(2-methylpropoxy)phenyl]-1-phenyl-4-pyrazolyl]-2-propenenitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-3-[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]prop-2-enenitrile Traditional Name: 3-[3-(4-isobutoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-tosyl-acrylonitrile Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC(C)C)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCC(C)C)C4=CC=CC=C4)C#N

InChI

InChI=1S/C29H27N3O3S/c1-21(2)20-35-26-13-11-23(12-14-26)29-24(19-32(31-29)25-7-5-4-6-8-25)17-28(18-30)36(33,34)27-15-9-22(3)10-16-27/h4-17,19,21H,20H2,1-3H3