3-(5-bromanyl-2-oxidanyl-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-(5-bromanyl-2-oxidanyl-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(5-bromo-2-hydroxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(5-bromo-2-hydroxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(5-bromo-2-hydroxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(5-bromo-2-hydroxy-phenyl)-2-tosyl-acrylonitrile Formula: C16H12BrNO3S MolecularWeight: 378.24038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(C=CC(=C2)Br)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(C=CC(=C2)Br)O)C#N

InChI

InChI=1S/C16H12BrNO3S/c1-11-2-5-14(6-3-11)22(20,21)15(10-18)9-12-8-13(17)4-7-16(12)19/h2-9,19H,1H3