(4-methylsulfanylphenyl)methyl 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylate CAS Name: 2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-phenyl-5-thiophen-2-ylpyrazole-3-carboxylate Traditional Name: 2-phenyl-5-(2-thienyl)pyrazole-3-carboxylic acid [4-(methylthio)benzyl] ester Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H18N2O2S2/c1-27-18-11-9-16(10-12-18)15-26-22(25)20-14-19(21-8-5-13-28-21)23-24(20)17-6-3-2-4-7-17/h2-14H,15H2,1H3