ethyl 1-(3-bromophenyl)-5-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(3-bromophenyl)-5-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]pyrazole-4-carboxylate Openeye Name: ethyl 1-(3-bromophenyl)-5-[(3-chlorobenzothiophene-2-carbonyl)amino]pyrazole-4-carboxylate CAS Name: 1-(3-bromophenyl)-5-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-bromophenyl)-5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]pyrazole-4-carboxylate Traditional Name: 1-(3-bromophenyl)-5-[(3-chlorobenzothiophene-2-carbonyl)amino]pyrazole-4-carboxylic acid ethyl ester Formula: C21H15BrClN3O3S MolecularWeight: 504.7841

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Br)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Br)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H15BrClN3O3S/c1-2-29-21(28)15-11-24-26(13-7-5-6-12(22)10-13)19(15)25-20(27)18-17(23)14-8-3-4-9-16(14)30-18/h3-11H,2H2,1H3,(H,25,27)