3-(4-bromophenyl)-N-morpholin-4-ylcarbothioyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(4-bromophenyl)-N-morpholin-4-ylcarbothioyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(4-bromophenyl)-N-(morpholine-4-carbothioyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-bromophenyl)-N-[4-morpholinyl(sulfanylidene)methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-bromophenyl)-N-(morpholine-4-carbothioyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(4-bromophenyl)-N-(morpholine-4-carbothioyl)-1-phenyl-pyrazole-4-carboxamide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=S)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H19BrN4O2S/c22-16-8-6-15(7-9-16)19-18(14-26(24-19)17-4-2-1-3-5-17)20(27)23-21(29)25-10-12-28-13-11-25/h1-9,14H,10-13H2,(H,23,27,29)