butyl (E,1E)-N-(4-methylphenyl)sulfonyl-5-phenyl-pent-2-enimidothioate

Systemtic Name: butyl (E,1E)-N-(4-methylphenyl)sulfonyl-5-phenyl-pent-2-enimidothioate Openeye Name: butyl (E,1E)-5-phenyl-N-(p-tolylsulfonyl)pent-2-enimidothioate CAS Name: (E,1E)-N-(4-methylphenyl)sulfonyl-5-phenyl-2-pentenimidothioic acid butyl ester IUPAC Name: butyl (E,1E)-N-(4-methylphenyl)sulfonyl-5-phenylpent-2-enimidothioate Traditional Name: (E,1E)-5-phenyl-N-tosyl-pent-2-enimidothioic acid butyl ester Formula: C22H27NO2S2 MolecularWeight: 401.58528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=NS(=O)(=O)C1=CC=C(C=C1)C)C=CCCC2=CC=CC=C2

Isomeric SMILES

CCCCS/C(=N/S(=O)(=O)C1=CC=C(C=C1)C)/C=C/CCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO2S2/c1-3-4-18-26-22(13-9-8-12-20-10-6-5-7-11-20)23-27(24,25)21-16-14-19(2)15-17-21/h5-7,9-11,13-17H,3-4,8,12,18H2,1-2H3/b13-9+,23-22+