ethyl 2-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[3-(4-bromophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[3-(4-bromophenyl)-1-phenylpyrazole-4-carbonyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-bromophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H22BrN3O3S MolecularWeight: 572.47228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CN(N=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CN(N=C3C4=CC=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C29H22BrN3O3S/c1-2-36-29(35)25-24(19-9-5-3-6-10-19)18-37-28(25)31-27(34)23-17-33(22-11-7-4-8-12-22)32-26(23)20-13-15-21(30)16-14-20/h3-18H,2H2,1H3,(H,31,34)