methyl (1E,2E)-N-(4-methylphenyl)sulfonyl-2-(phenylmethylidene)hexanimidothioate

Systemtic Name: methyl (1E,2E)-N-(4-methylphenyl)sulfonyl-2-(phenylmethylidene)hexanimidothioate Openeye Name: methyl (1E,2E)-2-benzylidene-N-(p-tolylsulfonyl)hexanimidothioate CAS Name: (1E,2E)-N-(4-methylphenyl)sulfonyl-2-(phenylmethylene)hexanimidothioic acid methyl ester IUPAC Name: methyl (1E,2E)-2-benzylidene-N-(4-methylphenyl)sulfonylhexanimidothioate Traditional Name: (E,1E)-2-butyl-3-phenyl-N-tosyl-thioacrylimidic acid methyl ester Formula: C21H25NO2S2 MolecularWeight: 387.5587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC1=CC=CC=C1)C(=NS(=O)(=O)C2=CC=C(C=C2)C)SC

Isomeric SMILES

CCCC/C(=C\C1=CC=CC=C1)/C(=N\S(=O)(=O)C2=CC=C(C=C2)C)/SC

InChI

InChI=1S/C21H25NO2S2/c1-4-5-11-19(16-18-9-7-6-8-10-18)21(25-3)22-26(23,24)20-14-12-17(2)13-15-20/h6-10,12-16H,4-5,11H2,1-3H3/b19-16+,22-21+