3-(3-butoxyphenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-(3-butoxyphenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(3-butoxyphenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(3-butoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(3-butoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(3-butoxyphenyl)-2-tosyl-acrylonitrile Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H21NO3S/c1-3-4-12-24-18-7-5-6-17(13-18)14-20(15-21)25(22,23)19-10-8-16(2)9-11-19/h5-11,13-14H,3-4,12H2,1-2H3