3-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(3,5-dibromo-2-hydroxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(3,5-dibromo-2-hydroxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(3,5-dibromo-2-hydroxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(3,5-dibromo-2-hydroxy-phenyl)-2-tosyl-acrylonitrile Formula: C16H11Br2NO3S MolecularWeight: 457.13644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=CC(=C2O)Br)Br)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=CC(=C2O)Br)Br)C#N

InChI

InChI=1S/C16H11Br2NO3S/c1-10-2-4-13(5-3-10)23(21,22)14(9-19)7-11-6-12(17)8-15(18)16(11)20/h2-8,20H,1H3