methyl 3-(5-methyl-3-phenyl-pyrazol-1-yl)-4-propylsulfonyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-(5-methyl-3-phenyl-pyrazol-1-yl)-4-propylsulfonyl-thiophene-2-carboxylate Openeye Name: methyl 3-(5-methyl-3-phenyl-pyrazol-1-yl)-4-propylsulfonyl-thiophene-2-carboxylate CAS Name: 3-(5-methyl-3-phenyl-1-pyrazolyl)-4-propylsulfonyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(5-methyl-3-phenylpyrazol-1-yl)-4-propylsulfonylthiophene-2-carboxylate Traditional Name: 3-(5-methyl-3-phenyl-pyrazol-1-yl)-4-propylsulfonyl-thiophene-2-carboxylic acid methyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CSC(=C1N2C(=CC(=N2)C3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CCCS(=O)(=O)C1=CSC(=C1N2C(=CC(=N2)C3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C19H20N2O4S2/c1-4-10-27(23,24)16-12-26-18(19(22)25-3)17(16)21-13(2)11-15(20-21)14-8-6-5-7-9-14/h5-9,11-12H,4,10H2,1-3H3