[5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 3,4-dihydrothiophene-2-sulfonate

Systemtic Name: [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 3,4-dihydrothiophene-2-sulfonate Openeye Name: [5-methyl-2-(p-tolyl)pyrazol-3-yl] 3,4-dihydrothiophene-2-sulfonate CAS Name: 3,4-dihydrothiophene-2-sulfonic acid [5-methyl-2-(4-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-methyl-2-(4-methylphenyl)pyrazol-3-yl] 3,4-dihydrothiophene-2-sulfonate Traditional Name: 3,4-dihydrothiophene-2-sulfonic acid [5-methyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C15H16N2O3S2 MolecularWeight: 336.42914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)OS(=O)(=O)C3=S=CCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)OS(=O)(=O)C3=S=CCC3

InChI

InChI=1S/C15H16N2O3S2/c1-11-5-7-13(8-6-11)17-14(10-12(2)16-17)20-22(18,19)15-4-3-9-21-15/h5-10H,3-4H2,1-2H3