N-(4-bromophenyl)-1-phenyl-5-(thiophen-2-ylcarbonylamino)pyrazole-4-carboxamide

Systemtic Name: N-(4-bromophenyl)-1-phenyl-5-(thiophen-2-ylcarbonylamino)pyrazole-4-carboxamide Openeye Name: N-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide CAS Name: N-(4-bromophenyl)-5-[[oxo(thiophen-2-yl)methyl]amino]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-(4-bromophenyl)-1-phenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide Traditional Name: N-(4-bromophenyl)-1-phenyl-5-(2-thenoylamino)pyrazole-4-carboxamide Formula: C21H15BrN4O2S MolecularWeight: 467.3384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)Br)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)Br)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H15BrN4O2S/c22-14-8-10-15(11-9-14)24-20(27)17-13-23-26(16-5-2-1-3-6-16)19(17)25-21(28)18-7-4-12-29-18/h1-13H,(H,24,27)(H,25,28)