(E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-pyridin-2-ylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-pyridin-2-ylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-2-(2-pyridylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-2-(2-pyridinylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-2-pyridin-2-ylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-2-(2-pyridylsulfonyl)acrylonitrile Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=C(C#N)S(=O)(=O)C2=CC=CC=N2

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C(\C#N)/S(=O)(=O)C2=CC=CC=N2

InChI

InChI=1S/C16H14N2O3S/c1-11-7-13(8-12(2)16(11)19)9-14(10-17)22(20,21)15-5-3-4-6-18-15/h3-9,19H,1-2H3/b14-9+