(E)-3-[4-oxidanyl-3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-oxidanyl-3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3,5-diisopropyl-phenyl)-2-(3-thienylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2-(3-thiophenylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-2-thiophen-3-ylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3,5-diisopropyl-phenyl)-2-(3-thienylsulfonyl)acrylonitrile Formula: C19H21NO3S2 MolecularWeight: 375.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1O)C(C)C)C=C(C#N)S(=O)(=O)C2=CSC=C2

Isomeric SMILES

CC(C)C1=CC(=CC(=C1O)C(C)C)/C=C(\C#N)/S(=O)(=O)C2=CSC=C2

InChI

InChI=1S/C19H21NO3S2/c1-12(2)17-8-14(9-18(13(3)4)19(17)21)7-16(10-20)25(22,23)15-5-6-24-11-15/h5-9,11-13,21H,1-4H3/b16-7+