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

Systemtic Name: (E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-thiophen-3-ylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-2-(3-thienylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-2-(3-thiophenylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-2-thiophen-3-ylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-2-(3-thienylsulfonyl)acrylonitrile Formula: C15H13NO3S2 MolecularWeight: 319.39862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO3S2/c1-10-5-12(6-11(2)15(10)17)7-14(8-16)21(18,19)13-3-4-20-9-13/h3-7,9,17H,1-2H3/b14-7+