3-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[2-[(3,5-dimethylphenyl)methoxy]phenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-[2-(3,5-dimethylbenzyl)oxyphenyl]-2-tosyl-acrylonitrile Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=CC=C2OCC3=CC(=CC(=C3)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=CC=C2OCC3=CC(=CC(=C3)C)C)C#N

InChI

InChI=1S/C25H23NO3S/c1-18-8-10-23(11-9-18)30(27,28)24(16-26)15-22-6-4-5-7-25(22)29-17-21-13-19(2)12-20(3)14-21/h4-15H,17H2,1-3H3