methyl 5-(3-bromophenyl)carbonyl-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-(3-bromophenyl)carbonyl-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylate Openeye Name: methyl 5-(3-bromobenzoyl)-4-(2-thienyl)-4,5-dihydro-1H-pyrazole-3-carboxylate CAS Name: 5-[(3-bromophenyl)-oxomethyl]-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(3-bromobenzoyl)-4-thiophen-2-yl-4,5-dihydro-1H-pyrazole-3-carboxylate Traditional Name: 5-(3-bromobenzoyl)-4-(2-thienyl)-2-pyrazoline-3-carboxylic acid methyl ester Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NNC(C1C2=CC=CS2)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1=NNC(C1C2=CC=CS2)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H13BrN2O3S/c1-22-16(21)14-12(11-6-3-7-23-11)13(18-19-14)15(20)9-4-2-5-10(17)8-9/h2-8,12-13,18H,1H3