(E)-3-(3-tert-butyl-4-oxidanyl-phenyl)-2-thiophen-3-ylsulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-tert-butyl-4-oxidanyl-phenyl)-2-thiophen-3-ylsulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-tert-butyl-4-hydroxy-phenyl)-2-(3-thienylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3-tert-butyl-4-hydroxyphenyl)-2-(3-thiophenylsulfonyl)-2-propenenitrile IUPAC Name: (E)-3-(3-tert-butyl-4-hydroxyphenyl)-2-thiophen-3-ylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-tert-butyl-4-hydroxy-phenyl)-2-(3-thienylsulfonyl)acrylonitrile Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO3S2/c1-17(2,3)15-9-12(4-5-16(15)19)8-14(10-18)23(20,21)13-6-7-22-11-13/h4-9,11,19H,1-3H3/b14-8+