(4-pyrazol-1-ylphenyl)methyl 2,5-dimethylthiophene-3-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2,5-dimethylthiophene-3-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2,5-dimethylthiophene-3-carboxylate CAS Name: 2,5-dimethyl-3-thiophenecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2,5-dimethylthiophene-3-carboxylate Traditional Name: 2,5-dimethylthiophene-3-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C17H16N2O2S/c1-12-10-16(13(2)22-12)17(20)21-11-14-4-6-15(7-5-14)19-9-3-8-18-19/h3-10H,11H2,1-2H3