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

Systemtic Name: methyl (E,1E)-2-methyl-N-(4-methylphenyl)sulfonyl-5-phenyl-pent-2-enimidothioate Openeye Name: methyl (E,1E)-2-methyl-5-phenyl-N-(p-tolylsulfonyl)pent-2-enimidothioate CAS Name: (E,1E)-2-methyl-N-(4-methylphenyl)sulfonyl-5-phenyl-2-pentenimidothioic acid methyl ester IUPAC Name: methyl (E,1E)-2-methyl-N-(4-methylphenyl)sulfonyl-5-phenylpent-2-enimidothioate Traditional Name: (E,1E)-2-methyl-5-phenyl-N-tosyl-pent-2-enimidothioic acid methyl ester Formula: C20H23NO2S2 MolecularWeight: 373.53212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C(=CCCC2=CC=CC=C2)C)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C(=C\CCC2=CC=CC=C2)\C)/SC

InChI

InChI=1S/C20H23NO2S2/c1-16-12-14-19(15-13-16)25(22,23)21-20(24-3)17(2)8-7-11-18-9-5-4-6-10-18/h4-6,8-10,12-15H,7,11H2,1-3H3/b17-8+,21-20+