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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCOC1=CC=CC=C1C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C

InChI

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