(4-pyrazol-1-ylphenyl)methyl 3-methylthiophene-2-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 3-methylthiophene-2-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 3-methylthiophene-2-carboxylate CAS Name: 3-methyl-2-thiophenecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 3-methylthiophene-2-carboxylate Traditional Name: 3-methylthiophene-2-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C16H14N2O2S MolecularWeight: 298.35956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=C(SC=C1)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C16H14N2O2S/c1-12-7-10-21-15(12)16(19)20-11-13-3-5-14(6-4-13)18-9-2-8-17-18/h2-10H,11H2,1H3