(E)-2-tert-butylsulfonyl-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-tert-butylsulfonyl-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]prop-2-enenitrile Openeye Name: (E)-2-tert-butylsulfonyl-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]prop-2-enenitrile CAS Name: (E)-2-tert-butylsulfonyl-3-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-tert-butylsulfonyl-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]prop-2-enenitrile Traditional Name: (E)-2-tert-butylsulfonyl-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]acrylonitrile Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C=C(C#N)S(=O)(=O)C(C)(C)C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)/C=C(\C#N)/S(=O)(=O)C(C)(C)C)C

InChI

InChI=1S/C19H22N2O2S/c1-14-6-7-15(2)21(14)17-10-8-16(9-11-17)12-18(13-20)24(22,23)19(3,4)5/h6-12H,1-5H3/b18-12+