3-[2-[(4-tert-butylphenyl)methoxy]phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-[2-[(4-tert-butylphenyl)methoxy]phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-[2-[(4-tert-butylphenyl)methoxy]phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[2-[(4-tert-butylphenyl)methoxy]phenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[2-[(4-tert-butylphenyl)methoxy]phenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-[2-(4-tert-butylbenzyl)oxyphenyl]-2-tosyl-acrylonitrile Formula: C27H27NO3S MolecularWeight: 445.57318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO3S/c1-20-9-15-24(16-10-20)32(29,30)25(18-28)17-22-7-5-6-8-26(22)31-19-21-11-13-23(14-12-21)27(2,3)4/h5-17H,19H2,1-4H3