methyl 1-(4-bromophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 1-(4-bromophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 1-(4-bromophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate CAS Name: 1-(4-bromophenyl)-5-[4-(methylthio)phenyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-bromophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxylate Traditional Name: 1-(4-bromophenyl)-5-[4-(methylthio)phenyl]pyrazole-3-carboxylic acid methyl ester Formula: C18H15BrN2O2S MolecularWeight: 403.2929

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=NN(C(=C1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrN2O2S/c1-23-18(22)16-11-17(12-3-9-15(24-2)10-4-12)21(20-16)14-7-5-13(19)6-8-14/h3-11H,1-2H3