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

Systemtic Name: methyl (E,1E)-2-methyl-N-(4-methylphenyl)sulfonyl-5-phenyl-pent-2-en-4-ynimidothioate Openeye Name: methyl (E,1E)-2-methyl-5-phenyl-N-(p-tolylsulfonyl)pent-2-en-4-ynimidothioate CAS Name: (E,1E)-2-methyl-N-(4-methylphenyl)sulfonyl-5-phenylpent-2-en-4-ynimidothioic acid methyl ester IUPAC Name: methyl (E,1E)-2-methyl-N-(4-methylphenyl)sulfonyl-5-phenylpent-2-en-4-ynimidothioate Traditional Name: (E,1E)-2-methyl-5-phenyl-N-tosyl-pent-2-en-4-ynimidothioic acid methyl ester Formula: C20H19NO2S2 MolecularWeight: 369.50036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(C(=CC#CC2=CC=CC=C2)C)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C(\C(=C\C#CC2=CC=CC=C2)\C)/SC

InChI

InChI=1S/C20H19NO2S2/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,1-3H3/b17-8+,21-20+