(1,3-diphenylpyrazol-4-yl)methyl 5-chloranylthiophene-2-carboxylate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 5-chloranylthiophene-2-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C21H15ClN2O2S MolecularWeight: 394.874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=C(S3)Cl)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2COC(=O)C3=CC=C(S3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H15ClN2O2S/c22-19-12-11-18(27-19)21(25)26-14-16-13-24(17-9-5-2-6-10-17)23-20(16)15-7-3-1-4-8-15/h1-13H,14H2